Chemical ID: 4735257

COc1ccc(cc1)c2ccccc2
Chemical ID:
4735257
Name [?]:
1-methoxy-4-phenyl-benzene
SMILES [?]:
COc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,5,7,4,8,9,6,3,2/E:(3,4)(5,6)(7,8)(9,10)/rA:14nCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.84086
Area:361.416
Solvation:-2.19453
Coulombic:-10.0827
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:184.234
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.88
LogP (Chemaxon):3.48

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Descriptor Annotations

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