1-chloro-4-phenylbenzene

C12H9Cl — CID 16323

IUPAC1-chloro-4-phenylbenzene
SMILESClc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyFPWNLURCHDRMHC-UHFFFAOYSA-N
MW188.66 g/mol
LogP4.01
Rot. Bonds1

About 1-chloro-4-phenylbenzene

1-chloro-4-phenylbenzene (PubChem CID 16323) has the molecular formula C12H9Cl and a molecular weight of 188.66 g/mol. Its IUPAC name is 1-chloro-4-phenylbenzene.

Molecular Properties

Compound Name1-chloro-4-phenylbenzene
PubChem CID16323
Molecular FormulaC12H9Cl
Molecular Weight188.66 g/mol
Exact Mass188.04
IUPAC Name1-chloro-4-phenylbenzene
SMILESClc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyFPWNLURCHDRMHC-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-phenylbenzene?
The IUPAC name of 1-chloro-4-phenylbenzene (CID 16323) is 1-chloro-4-phenylbenzene.
What is the SMILES notation for 1-chloro-4-phenylbenzene?
The canonical SMILES for 1-chloro-4-phenylbenzene is Clc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-phenylbenzene?
The InChIKey is FPWNLURCHDRMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-chloro-4-phenylbenzene?
1-chloro-4-phenylbenzene has a molecular weight of 188.66 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-phenylbenzene is sourced from PubChem (CID 16323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).