Monomers

2-(4-Ethenylphenyl)propan-1-ol

Identifiers

IUPAC name
2-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)9(2)8-12/h3-7,9,12H,1,8H2,2H3
InchI Key
IWONVDRULKJRQP-UHFFFAOYSA-N
SMILES
OCC(c1ccc(cc1)C=C)C
Canonical SMILES
CC(CO)C1=CC=C(C=C1)C=C
Isomeric SMILES
CC(CO)C1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
20.23
MolLogP
2.4254
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
   -4.0075    1.2324   -0.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6634    1.0593   -0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9387    0.2563    0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5143    0.0506    0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534    0.5311    1.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070    0.3746    0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458   -0.2864   -0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603   -0.7710   -1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0761   -0.6144   -0.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340   -0.5161   -0.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374   -0.1030    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6464   -1.0674    0.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3476    2.0187   -0.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6472    0.4845   -1.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2386    2.0425   -0.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280    0.8129    1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1809    1.0694    1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5233    0.7677    1.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5896   -1.2980   -2.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.9835   -1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8935   -1.0477   -1.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4261    0.4335    1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6788   -0.2816   -0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7462   -0.9017    0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2965   -1.4347    1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3290   -1.8280   -0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  3
  3 12  1  0
  9  4  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  0
 11 23  1  0
 12 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers