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
4.3904 0.5427 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5563 -0.4814 0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2052 -0.3988 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4027 -1.5341 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1153 -1.5276 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4167 -0.3945 -0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3754 0.7289 -0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6799 0.7264 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7809 -0.3945 -1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8171 0.0075 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0811 -0.0211 -0.6940 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6116 1.4216 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3798 0.4057 1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1506 1.5138 0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8913 -1.4196 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7829 -2.4494 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4645 -2.4588 0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0035 1.6313 -1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2839 1.6217 -0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8287 0.2511 -2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0616 -1.4219 -1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8446 -0.7025 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4633 -0.9469 -0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9919 1.3671 1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6074 1.8323 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2409 2.1012 -0.3725 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