1-methyl-3-(3-methylphenyl)benzene

C14H14 — CID 11931

IUPAC1-methyl-3-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cccc(C)c2)c1
InChIInChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKeyGVEDOIATHPCYGS-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.97
Rot. Bonds1

About 1-methyl-3-(3-methylphenyl)benzene

1-methyl-3-(3-methylphenyl)benzene (PubChem CID 11931) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-methyl-3-(3-methylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-3-(3-methylphenyl)benzene
PubChem CID11931
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name1-methyl-3-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cccc(C)c2)c1
InChIInChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKeyGVEDOIATHPCYGS-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylphenyl)benzene?
The IUPAC name of 1-methyl-3-(3-methylphenyl)benzene (CID 11931) is 1-methyl-3-(3-methylphenyl)benzene.
What is the SMILES notation for 1-methyl-3-(3-methylphenyl)benzene?
The canonical SMILES for 1-methyl-3-(3-methylphenyl)benzene is Cc1cccc(-c2cccc(C)c2)c1.
What is the InChIKey of 1-methyl-3-(3-methylphenyl)benzene?
The InChIKey is GVEDOIATHPCYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3.
What are the key properties of 1-methyl-3-(3-methylphenyl)benzene?
1-methyl-3-(3-methylphenyl)benzene has a molecular weight of 182.27 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylphenyl)benzene is sourced from PubChem (CID 11931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).