3,5-Dimethoxy-1,1'-biphenyl

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CAS Number

64326-17-6

MDL Number

MFCD26383676

Smiles

O (C) c1cc (cc (OC) c1) c1ccccc1

Chemical Information

3,5-Dimethoxybiphenyl

3,5-dimethoxybiphenyl has been reported in Lindera fruticosa, Lindera neesiana, and Berberis koreana with data available.

CAS Number	64326-17-6
PubChem CID	11469945
IUPAC Name	1,3-dimethoxy-5-phenylbenzene
Molecular Formula	C14H14O2
Molecular Weight	214.26
XLogP	3.5
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	187

SMILES

COC1=CC(=CC(=C1)C2=CC=CC=C2)OC

InChI

InChI=1S/C14H14O2/c1-15-13-8-12(9-14(10-13)16-2)11-6-4-3-5-7-11/h3-10H,1-2H3

InChIKey

CQWCDYBZNSNECQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 64326-17-6

CID: 11469945

Formula: C14H14O2

MW: 214.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.26
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	214.099379685
Monoisotopic Mass	214.099379685
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	187
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1067388-01	3,3'-Dimethoxy-1,1'-biphenyl
OR1097180	3,4-Dimethoxy-1,1'-biphenyl
OR1094059-01	2,3-Dimethoxy-1,1'-biphenyl
OR1053192-01	5,5'-Diallyl-3,3'-dimethoxy-[1,1'-biphenyl]-2,2'-diol
OR1056647-01	2,2'-Dibromo-5,5'-dimethoxy-1,1'-biphenyl
OR1100661-01	3,4-Dimethoxy-3'-methyl-1,1'-biphenyl
OR1087477-01	3'-Bromo-2,3-dimethoxy-1,1'-biphenyl
PC1021527	2-fluoro-4',5-dimethoxy-1,1'-biphenyl
PC1017580-01	2-Fluoro-4,5-dimethoxy-1,1'-biphenyl
OR1084583-01	4,5-Dimethoxy[1,1'-biphenyl]-2-carboxaldehyde

Catalog	Name
AR-M03037-01	3,3'-Dimethoxy-1,1'-biphenyl
160857	3',5-Dimethoxy-2,4'-dinitro-1,1'-biphenyl
159830	2,2'-Dimethoxy-5,5'-dinitro-1,1'-biphenyl
sc-349796A	4,5-dimethoxy-1,1'-biphenyl-2-carbaldehyde
FD71561-01	6,6'-Dihydroxy-5,5'-dimethoxy- [1,1'-biphenyl]-3,3'-dicarboxaldehyde
TRC-D452775-100MG	4',6-Dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-carboxaldehyde
159829	2,2'-Dimethoxy-1,1'-biphenyl
ITB31305-01	3',6-Dimethoxy-[1,1'-biphenyl]-3-carboxylic acid
HAA02841-01	[1,1'-Biphenyl]-3,5-diol
GX7393-1g	1,3-Dimethoxy-5-iodobenzene