1,3-dimethyl-5-(2-methylphenyl)benzene

C15H16 — CID 12639839

IUPAC1,3-dimethyl-5-(2-methylphenyl)benzene
SMILESCc1cc(C)cc(-c2ccccc2C)c1
InChIInChI=1S/C15H16/c1-11-8-12(2)10-14(9-11)15-7-5-4-6-13(15)3/h4-10H,1-3H3
InChIKeyYWWUASYXRFTAIH-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.28
Rot. Bonds1

About 1,3-dimethyl-5-(2-methylphenyl)benzene

1,3-dimethyl-5-(2-methylphenyl)benzene (PubChem CID 12639839) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylphenyl)benzene
PubChem CID12639839
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1,3-dimethyl-5-(2-methylphenyl)benzene
SMILESCc1cc(C)cc(-c2ccccc2C)c1
InChIInChI=1S/C15H16/c1-11-8-12(2)10-14(9-11)15-7-5-4-6-13(15)3/h4-10H,1-3H3
InChIKeyYWWUASYXRFTAIH-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methylphenyl)benzene?
The IUPAC name of 1,3-dimethyl-5-(2-methylphenyl)benzene (CID 12639839) is 1,3-dimethyl-5-(2-methylphenyl)benzene.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylphenyl)benzene?
The canonical SMILES for 1,3-dimethyl-5-(2-methylphenyl)benzene is Cc1cc(C)cc(-c2ccccc2C)c1.
What is the InChIKey of 1,3-dimethyl-5-(2-methylphenyl)benzene?
The InChIKey is YWWUASYXRFTAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-11-8-12(2)10-14(9-11)15-7-5-4-6-13(15)3/h4-10H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(2-methylphenyl)benzene?
1,3-dimethyl-5-(2-methylphenyl)benzene has a molecular weight of 196.29 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylphenyl)benzene is sourced from PubChem (CID 12639839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).