1-benzhydryl-2-chlorobenzene

C19H15Cl — CID 14347913

IUPAC1-benzhydryl-2-chlorobenzene
SMILESClc1ccccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15Cl/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
InChIKeyIWUWHGXBCVDMST-UHFFFAOYSA-N
MW278.78 g/mol
LogP5.52
Rot. Bonds3

About 1-benzhydryl-2-chlorobenzene

1-benzhydryl-2-chlorobenzene (PubChem CID 14347913) has the molecular formula C19H15Cl and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-benzhydryl-2-chlorobenzene.

Molecular Properties

Compound Name1-benzhydryl-2-chlorobenzene
PubChem CID14347913
Molecular FormulaC19H15Cl
Molecular Weight278.78 g/mol
Exact Mass278.09
IUPAC Name1-benzhydryl-2-chlorobenzene
SMILESClc1ccccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15Cl/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
InChIKeyIWUWHGXBCVDMST-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.78
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-2-chlorobenzene?
The IUPAC name of 1-benzhydryl-2-chlorobenzene (CID 14347913) is 1-benzhydryl-2-chlorobenzene.
What is the SMILES notation for 1-benzhydryl-2-chlorobenzene?
The canonical SMILES for 1-benzhydryl-2-chlorobenzene is Clc1ccccc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-2-chlorobenzene?
The InChIKey is IWUWHGXBCVDMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H.
What are the key properties of 1-benzhydryl-2-chlorobenzene?
1-benzhydryl-2-chlorobenzene has a molecular weight of 278.78 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-2-chlorobenzene is sourced from PubChem (CID 14347913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).