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
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
-4.0328 -0.1415 -0.5213 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6852 0.1208 -0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9425 -0.1530 0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5121 0.0879 0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2747 -0.6158 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6469 -0.3396 -0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2183 0.6286 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4231 1.3515 1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0812 1.0565 1.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6315 0.9000 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3960 0.2544 -0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 -1.5720 0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5795 -0.0084 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5923 1.1681 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3446 -0.5893 -1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3762 0.5108 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2078 -1.3648 -1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1773 -0.9444 -1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8585 2.1169 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4914 1.6445 1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0547 1.6673 0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0881 -0.5211 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4718 0.4930 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2855 -1.5500 1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4035 -2.1848 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5852 -2.0156 1.6430 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