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
4.7459 -1.3944 -0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1144 -0.7320 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8199 -0.1328 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1510 -0.2315 -1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8916 0.3615 -1.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3226 1.0365 -0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9792 1.1442 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2153 0.5649 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9404 1.6036 -0.3866 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1048 0.8633 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7050 0.0736 -1.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8354 -0.6514 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4308 -0.6240 0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8634 0.1480 1.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7116 0.8835 1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3186 -1.5298 -1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7286 -1.8390 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5860 -0.6094 1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5475 -0.7542 -1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3851 0.2716 -2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5055 1.6860 1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7450 0.6381 2.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2619 0.0295 -2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2499 -1.2499 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3254 -1.1953 0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3556 0.1488 2.3468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2721 1.4908 1.9092 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