Monomers
p-Phenoxystyrene
Identifiers
IUPAC name
1-ethenyl-4-phenoxybenzene
InchI
InChI=1S/C14H12O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h2-11H,1H2
InchI Key
UULPGUKSBAXNJN-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Oc1ccccc1
Canonical SMILES
C=CC1=CC=C(C=C1)OC2=CC=CC=C2
Isomeric SMILES
C=CC1=CC=C(C=C1)OC2=CC=CC=C2
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H12O
Heavy Atom Count
15
Molecular Weight
196.249
Exact Molecular Weight
196.0888
Valence Electrons
74
Radical Electrons
0
tPSA
9.23
MolLogP
4.1219
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
27 28 0 0 0 0 0 0 0 0999 V2000
4.5240 -1.4528 -0.7218 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1526 -0.2059 -0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7625 0.1901 -0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4257 1.5529 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1433 1.9939 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1141 1.0965 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4229 -0.2411 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7313 -0.6791 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1928 1.5511 0.1905 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1569 0.5798 0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8083 0.0948 -0.7176 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7674 -0.8597 -0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0777 -1.3325 0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4389 -0.8602 1.8116 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4826 0.0946 1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8243 -2.2417 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5531 -1.7094 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9198 0.5508 -0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2341 2.2582 -0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8844 3.0499 -0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3454 -0.9828 0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9458 -1.7427 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5552 0.4742 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2695 -1.2325 -1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8460 -2.0902 0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7312 -1.2728 2.7592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9660 0.4864 2.4985 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 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
8 3 1 0
15 10 1 0
1 16 1 0
1 17 1 0
2 18 1 0
4 19 1 0
5 20 1 0
7 21 1 0
8 22 1 0
11 23 1 0
12 24 1 0
13 25 1 0
14 26 1 0
15 27 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers