1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene

C21H20 — CID 168751305

IUPAC1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene
SMILESCc1ccc(-c2c(C)cccc2C)cc1-c1ccccc1
InChIInChI=1S/C21H20/c1-15-12-13-19(21-16(2)8-7-9-17(21)3)14-20(15)18-10-5-4-6-11-18/h4-14H,1-3H3
InChIKeyHRHPJWJWRQNQAA-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.95
Rot. Bonds2

About 1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene

1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene (PubChem CID 168751305) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene
PubChem CID168751305
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene
SMILESCc1ccc(-c2c(C)cccc2C)cc1-c1ccccc1
InChIInChI=1S/C21H20/c1-15-12-13-19(21-16(2)8-7-9-17(21)3)14-20(15)18-10-5-4-6-11-18/h4-14H,1-3H3
InChIKeyHRHPJWJWRQNQAA-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene?
The IUPAC name of 1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene (CID 168751305) is 1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene.
What is the SMILES notation for 1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene?
The canonical SMILES for 1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene is Cc1ccc(-c2c(C)cccc2C)cc1-c1ccccc1.
What is the InChIKey of 1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene?
The InChIKey is HRHPJWJWRQNQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-15-12-13-19(21-16(2)8-7-9-17(21)3)14-20(15)18-10-5-4-6-11-18/h4-14H,1-3H3.
What are the key properties of 1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene?
1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene has a molecular weight of 272.39 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene is sourced from PubChem (CID 168751305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).