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
Resources
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
4.7514 -0.7616 0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2166 -0.4288 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7896 -0.2075 -0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8723 -0.3208 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5142 -0.0924 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0276 0.2551 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9211 0.3748 -2.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 0.1510 -1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3170 0.4907 -1.3618 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2456 0.3715 -0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5568 1.4556 0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4627 1.3545 1.5113 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0630 0.1366 1.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7672 -0.9618 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8581 -0.8314 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1502 -0.8837 1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8106 -0.9187 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8380 -0.3098 -1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1985 -0.5929 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1563 -0.1977 0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5090 0.6549 -3.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9384 0.2474 -2.7581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0687 2.4135 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6979 2.2314 2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7780 0.0464 2.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2220 -1.9437 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5920 -1.6827 -0.6957 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