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
   -3.9906    0.5981   -1.1306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6517    0.2177   -1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9396    0.6320    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5115    0.2431    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599   -1.0884    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1648   -1.4571    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -0.5366    0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8415    0.7861    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.1691    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980   -0.9949    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6321   -0.1814    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6605    0.0583    1.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0232    1.5648   -1.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2127    0.7087   -2.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5346   -0.8766   -1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0142    1.7461    0.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444   -1.8422   -0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4563   -2.5085   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6252    1.5252    0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243    2.2089    0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7868   -2.0681   -0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5415    0.9014    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6466   -0.5974    0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7277    0.3808    1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6004   -1.0513    1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    0.4624    2.2329 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