Monomers

1-(4-Vinylphenyl)-1-propanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h3,5-8,11-12H,1,4H2,2H3
InchI Key
FNYDFLXPKVRBLU-UHFFFAOYSA-N
SMILES
CCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(C1=CC=C(C=C1)C=C)O
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
2.773
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
    2.7377    0.2499   -1.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7922   -0.7506   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0377   -0.2651    0.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6074   -0.0247    0.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    1.2729    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1837    1.5532    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0911    0.5186    0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6332   -0.7777    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2935   -1.0375    0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4700    0.8814   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4268    0.0222   -0.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1406   -1.3033    1.9316 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8308    1.2887   -0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6155    0.1063   -2.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8163    0.1603   -1.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8560   -0.8731    0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199   -1.7319   -0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310    0.6002    1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7850    2.1245    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5296    2.5646    0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3256   -1.5775   -0.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0664   -2.0589    0.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7540    1.9409   -0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4261    0.3226   -0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2048   -1.0280   -0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9620   -2.1780    1.5120 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
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers