Monomers
1-(4-Vinylphenyl)-1-propanol
Identifiers
IUPAC name
1-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h3,5-8,11-12H,1,4H2,2H3
InchI Key
FNYDFLXPKVRBLU-UHFFFAOYSA-N
SMILES
CCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(C1=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
2.773
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
-4.0774 0.3839 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6085 0.3865 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7455 -0.1378 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3319 -0.0862 -0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4097 1.0514 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7370 1.0662 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3447 -0.0898 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5558 -1.2474 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2538 -1.2460 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7203 -0.1569 0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4941 0.8869 1.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9064 0.5838 -2.0702 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2675 0.7080 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6239 1.0374 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4315 -0.6772 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2632 1.4224 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4370 -0.2724 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0273 -1.1839 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0311 1.9778 -0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2836 1.9990 0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0460 -2.1633 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3126 -2.1628 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1142 -1.1385 1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5101 0.7962 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1416 1.8516 0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5471 0.0042 -2.7986 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
1 14 1 0
1 15 1 0
2 16 1 0
2 17 1 0
3 18 1 0
5 19 1 0
6 20 1 0
8 21 1 0
9 22 1 0
10 23 1 0
11 24 1 0
11 25 1 0
12 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers