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
4.4353 0.7803 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5664 0.9633 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2325 0.3880 0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7832 -0.3733 -0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4849 -0.9028 -0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4067 -0.6831 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0367 0.0807 1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3094 0.6030 1.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7800 -1.2463 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7493 -0.3067 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0084 -0.9498 -0.4962 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8613 1.0049 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4177 1.2088 -0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2098 0.2059 -1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8650 1.5657 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4317 -0.5838 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1530 -1.4988 -1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6622 0.2685 2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6678 1.2055 2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7904 -2.1906 -0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1270 -1.4983 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5093 -0.1561 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9194 -1.9200 -0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8417 1.4591 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8644 0.8487 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0733 1.7272 -0.0729 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