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
4.7038 -1.0296 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9719 0.0423 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7197 0.1713 0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9982 1.3664 0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7995 1.5426 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2861 0.5414 -0.9836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 -0.6280 -1.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2203 -0.8356 -0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9260 0.7406 -1.6312 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0736 0.3411 -0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5518 -0.9324 -1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6672 -1.3094 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3219 -0.4206 0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8185 0.8563 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7022 1.2346 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4438 -1.8893 0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 -1.1111 1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3158 0.8634 1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3767 2.1736 1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2167 2.4577 -0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6245 -1.4453 -1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7371 -1.7799 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0610 -1.6596 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0859 -2.3266 -0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1899 -0.7679 1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3422 1.5446 1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3266 2.2593 0.0232 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