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
4.6019 0.2600 -1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7372 0.9738 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3779 0.5123 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8912 -0.6831 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5740 -1.0420 -0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2881 -0.2446 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2134 0.9383 0.7292 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5071 1.3173 0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6664 -0.6989 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6046 -0.2457 -0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6711 1.1457 -0.7450 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9913 -0.7295 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3509 -0.6784 -1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6413 0.5886 -1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0196 1.9246 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5252 -1.3355 -1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2243 -2.0002 -0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4410 1.5902 1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8578 2.2493 0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0356 -0.3094 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6814 -1.8080 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3017 -0.6440 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8185 1.5454 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9194 -1.5821 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5222 -1.1056 -1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5806 0.0614 0.2512 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