1-benzyl-2,3-dimethylbenzene

C15H16 — CID 11401331

IUPAC1-benzyl-2,3-dimethylbenzene
SMILESCc1cccc(Cc2ccccc2)c1C
InChIInChI=1S/C15H16/c1-12-7-6-10-15(13(12)2)11-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3
InChIKeyIOXAUPNPMJKSKQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.89
Rot. Bonds2

About 1-benzyl-2,3-dimethylbenzene

1-benzyl-2,3-dimethylbenzene (PubChem CID 11401331) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-benzyl-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-benzyl-2,3-dimethylbenzene
PubChem CID11401331
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-benzyl-2,3-dimethylbenzene
SMILESCc1cccc(Cc2ccccc2)c1C
InChIInChI=1S/C15H16/c1-12-7-6-10-15(13(12)2)11-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3
InChIKeyIOXAUPNPMJKSKQ-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-benzyl-2,3-dimethylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dimethylbenzene?
The IUPAC name of 1-benzyl-2,3-dimethylbenzene (CID 11401331) is 1-benzyl-2,3-dimethylbenzene.
What is the SMILES notation for 1-benzyl-2,3-dimethylbenzene?
The canonical SMILES for 1-benzyl-2,3-dimethylbenzene is Cc1cccc(Cc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-2,3-dimethylbenzene?
The InChIKey is IOXAUPNPMJKSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-12-7-6-10-15(13(12)2)11-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-benzyl-2,3-dimethylbenzene?
1-benzyl-2,3-dimethylbenzene has a molecular weight of 196.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dimethylbenzene is sourced from PubChem (CID 11401331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).