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
   -1.9946    1.8217    1.9784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6437    0.7930    1.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0462    0.5531   -0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6288    0.1907   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3113    0.9331   -0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6652    0.6302   -0.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0988   -0.4489    0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -1.1800    0.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2181   -0.8910    0.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4970   -0.8452    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4345   -0.1771   -0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7950   -0.5977   -0.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548    1.5351    2.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6402   -0.1323    1.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7163    1.0591    1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2136    1.4448   -0.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0402    1.7996   -1.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842    1.2335   -1.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -2.0383    1.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8923   -1.5261    1.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7604   -1.7028    0.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4976   -0.4836   -0.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2781    0.6869   -1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7634   -0.2274   -1.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0441   -1.3703    0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2237   -1.0600   -1.5336 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