1-benzhydryl-3-methylbenzene

C20H18 — CID 14951686

IUPAC1-benzhydryl-3-methylbenzene
SMILESCc1cccc(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20H,1H3
InChIKeyWVENNCSCPHNMHJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.18
Rot. Bonds3

About 1-benzhydryl-3-methylbenzene

1-benzhydryl-3-methylbenzene (PubChem CID 14951686) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-benzhydryl-3-methylbenzene.

Molecular Properties

Compound Name1-benzhydryl-3-methylbenzene
PubChem CID14951686
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name1-benzhydryl-3-methylbenzene
SMILESCc1cccc(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20H,1H3
InChIKeyWVENNCSCPHNMHJ-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-benzhydryl-3-methylbenzene 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-benzhydryl-3-methylbenzene?
The IUPAC name of 1-benzhydryl-3-methylbenzene (CID 14951686) is 1-benzhydryl-3-methylbenzene.
What is the SMILES notation for 1-benzhydryl-3-methylbenzene?
The canonical SMILES for 1-benzhydryl-3-methylbenzene is Cc1cccc(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-benzhydryl-3-methylbenzene?
The InChIKey is WVENNCSCPHNMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20H,1H3.
What are the key properties of 1-benzhydryl-3-methylbenzene?
1-benzhydryl-3-methylbenzene has a molecular weight of 258.36 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-methylbenzene is sourced from PubChem (CID 14951686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).