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
-2.8262 1.4795 0.5082 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7072 0.8904 -0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8901 -0.3726 -0.7304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5132 -0.1870 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2132 0.2719 0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0927 0.4209 1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1771 0.1374 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8635 -0.3151 -0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5538 -0.4740 -1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5370 0.3293 0.9704 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5523 0.0706 0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6428 -1.4183 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5659 2.1484 0.4442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2795 1.6557 -1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7243 0.6715 -1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8785 -0.7486 -1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0474 0.4997 1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3305 0.7848 2.3468 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6314 -0.5560 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3740 -0.8400 -2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7227 0.7001 1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4598 -0.2891 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5548 0.2208 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9261 -1.0675 1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5857 -1.6572 -0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0494 -2.3558 0.0793 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