1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene

C21H22O2 — CID 159369138

IUPAC1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
SMILESCOc1ccc(OC)c(C)c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C9H12O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-6-8(10-2)4-5-9(7)11-3/h1-10H;4-6H,1-3H3
InChIKeyLJNAAJKZIAPKTR-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.37
Rot. Bonds3

About 1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene

1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene (PubChem CID 159369138) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene.

Molecular Properties

Compound Name1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
PubChem CID159369138
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
SMILESCOc1ccc(OC)c(C)c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C9H12O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-6-8(10-2)4-5-9(7)11-3/h1-10H;4-6H,1-3H3
InChIKeyLJNAAJKZIAPKTR-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-methoxy-6-phenylnaphthalene
CID 11253308
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641
7-methoxy-1-methyl-3-phenylnaphthalene
CID 53497213
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 58660022
1,3-dimethoxy-5-phenylbenzene
CID 11469945
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene?
The IUPAC name of 1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene (CID 159369138) is 1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene.
What is the SMILES notation for 1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene?
The canonical SMILES for 1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene is COc1ccc(OC)c(C)c1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene?
The InChIKey is LJNAAJKZIAPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C9H12O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-6-8(10-2)4-5-9(7)11-3/h1-10H;4-6H,1-3H3.
What are the key properties of 1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene?
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene has a molecular weight of 306.41 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene is sourced from PubChem (CID 159369138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).