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
5.0666 0.4434 0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2293 0.1085 -0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8489 -0.2633 -0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3102 -0.2907 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9788 -0.6524 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1480 -0.9950 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7131 -0.9606 -1.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0187 -0.6086 -1.4478 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1781 -1.3575 0.1958 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2393 -0.4933 0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7226 0.1287 1.3131 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7974 0.9856 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4347 1.2663 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9363 0.6339 -1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8626 -0.2252 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0900 0.7099 0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8341 0.4826 1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5858 0.1068 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9225 -0.0314 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5686 -0.6684 2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0554 -1.2317 -2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4444 -0.5880 -2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2587 -0.0553 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1927 1.4887 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2844 1.9504 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4033 0.8188 -2.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5044 -0.7022 -1.9319 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