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
4.8883 -0.3786 -0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1774 0.2776 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7790 -0.0569 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0429 0.6641 1.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7155 0.3753 1.6596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0751 -0.6235 0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7899 -1.3371 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1293 -1.0593 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2591 -0.9125 1.1820 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2404 -0.2670 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8227 0.9094 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8095 1.5173 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2019 0.9296 -1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6107 -0.2543 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6351 -0.8570 -0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5275 -1.1696 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9482 -0.0766 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6089 1.0786 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5642 1.4410 1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1974 0.9689 2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3327 -2.1385 -0.5528 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6406 -1.6525 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5162 1.3744 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2779 2.4402 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9581 1.3452 -1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8906 -0.7534 -2.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1946 -1.7847 -1.0650 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