1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene

C21H20O — CID 20766185

IUPAC1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene
SMILESCOc1cc(C)ccc1-c1cc(C)cc(-c2ccccc2)c1
InChIInChI=1S/C21H20O/c1-15-9-10-20(21(13-15)22-3)19-12-16(2)11-18(14-19)17-7-5-4-6-8-17/h4-14H,1-3H3
InChIKeyZAQYTGFZGHMMIV-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.65
Rot. Bonds3

About 1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene

1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene (PubChem CID 20766185) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene
PubChem CID20766185
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene
SMILESCOc1cc(C)ccc1-c1cc(C)cc(-c2ccccc2)c1
InChIInChI=1S/C21H20O/c1-15-9-10-20(21(13-15)22-3)19-12-16(2)11-18(14-19)17-7-5-4-6-8-17/h4-14H,1-3H3
InChIKeyZAQYTGFZGHMMIV-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1-(2,4-dimethylphenyl)-3,5-diphenylbenzene
CID 20766179
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1-(2-bromophenyl)-2-methoxy-4-methylbenzene
CID 171366737
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene (CID 20766185) is 1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene is COc1cc(C)ccc1-c1cc(C)cc(-c2ccccc2)c1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene?
The InChIKey is ZAQYTGFZGHMMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-15-9-10-20(21(13-15)22-3)19-12-16(2)11-18(14-19)17-7-5-4-6-8-17/h4-14H,1-3H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene?
1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene has a molecular weight of 288.39 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene is sourced from PubChem (CID 20766185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).