Monomers
1-(4-Vinylphenyl)-2-propanol
Identifiers
IUPAC name
1-(4-ethenylphenyl)propan-2-ol
InchI
InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)8-9(2)12/h3-7,9,12H,1,8H2,2H3
InchI Key
LLWNVRSHEMAPGD-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)CC(O)C
Canonical SMILES
CC(CC1=CC=C(C=C1)C=C)O
Isomeric SMILES
CC(CC1=CC=C(C=C1)C=C)O
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
2.2529
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
4.4913 -0.4912 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5161 -0.8485 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1658 -0.3127 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2204 -0.7603 1.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0764 -0.2934 1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4786 0.6523 0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4412 1.1140 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7589 0.6396 -0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8571 1.1327 0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8026 0.3455 -0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3694 0.4035 -1.7684 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9980 -1.0721 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3382 0.2489 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4557 -0.9421 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7326 -1.5899 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4972 -1.5199 2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7638 -0.7057 2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1499 1.8681 -1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4711 1.0116 -1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2703 1.1711 1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8791 2.1806 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7924 0.8521 -0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7253 1.2490 -2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0267 -1.3861 -0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9225 -1.1725 1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2763 -1.7744 -0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 1 0
10 12 1 0
8 3 1 0
1 13 1 0
1 14 1 0
2 15 1 0
4 16 1 0
5 17 1 0
7 18 1 0
8 19 1 0
9 20 1 0
9 21 1 0
10 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