1-chloro-3-(2-phenylphenyl)benzene

C18H13Cl — CID 69293962

IUPAC1-chloro-3-(2-phenylphenyl)benzene
SMILESClc1cccc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C18H13Cl/c19-16-10-6-9-15(13-16)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H
InChIKeySKQSJOCWWWDMPX-UHFFFAOYSA-N
MW264.75 g/mol
LogP5.67
Rot. Bonds2

About 1-chloro-3-(2-phenylphenyl)benzene

1-chloro-3-(2-phenylphenyl)benzene (PubChem CID 69293962) has the molecular formula C18H13Cl and a molecular weight of 264.75 g/mol. Its IUPAC name is 1-chloro-3-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(2-phenylphenyl)benzene
PubChem CID69293962
Molecular FormulaC18H13Cl
Molecular Weight264.75 g/mol
Exact Mass264.07
IUPAC Name1-chloro-3-(2-phenylphenyl)benzene
SMILESClc1cccc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C18H13Cl/c19-16-10-6-9-15(13-16)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H
InChIKeySKQSJOCWWWDMPX-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.75
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-phenylphenyl)benzene?
The IUPAC name of 1-chloro-3-(2-phenylphenyl)benzene (CID 69293962) is 1-chloro-3-(2-phenylphenyl)benzene.
What is the SMILES notation for 1-chloro-3-(2-phenylphenyl)benzene?
The canonical SMILES for 1-chloro-3-(2-phenylphenyl)benzene is Clc1cccc(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 1-chloro-3-(2-phenylphenyl)benzene?
The InChIKey is SKQSJOCWWWDMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl/c19-16-10-6-9-15(13-16)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H.
What are the key properties of 1-chloro-3-(2-phenylphenyl)benzene?
1-chloro-3-(2-phenylphenyl)benzene has a molecular weight of 264.75 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-phenylphenyl)benzene is sourced from PubChem (CID 69293962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).