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
4.7878 -0.8750 1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9636 0.1294 1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7213 0.1500 0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3392 -0.8646 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1340 -0.7398 -1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3141 0.3405 -0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7001 1.3582 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8839 1.2653 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8949 0.4816 -1.5356 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0677 0.0126 -0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2931 0.1485 -1.6271 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4562 -0.3233 -1.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3640 -0.9277 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1630 -1.0617 0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0017 -0.5936 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5957 -1.7146 0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7084 -0.8264 1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1789 0.9972 1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9644 -1.7451 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8386 -1.5327 -1.6666 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0303 2.2245 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1679 2.0930 1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2873 0.6291 -2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4143 -0.2234 -1.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2634 -1.3014 0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0891 -1.5335 1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0335 -0.6754 0.7362 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