1-chloro-2-methyl-3-phenylbenzene

C13H11Cl — CID 4601832

IUPAC1-chloro-2-methyl-3-phenylbenzene
SMILESCc1c(Cl)cccc1-c1ccccc1
InChIInChI=1S/C13H11Cl/c1-10-12(8-5-9-13(10)14)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyJNXJARJANRFDKX-UHFFFAOYSA-N
MW202.68 g/mol
LogP4.32
Rot. Bonds1

About 1-chloro-2-methyl-3-phenylbenzene

1-chloro-2-methyl-3-phenylbenzene (PubChem CID 4601832) has the molecular formula C13H11Cl and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-chloro-2-methyl-3-phenylbenzene.

Molecular Properties

Compound Name1-chloro-2-methyl-3-phenylbenzene
PubChem CID4601832
Molecular FormulaC13H11Cl
Molecular Weight202.68 g/mol
Exact Mass202.05
IUPAC Name1-chloro-2-methyl-3-phenylbenzene
SMILESCc1c(Cl)cccc1-c1ccccc1
InChIInChI=1S/C13H11Cl/c1-10-12(8-5-9-13(10)14)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyJNXJARJANRFDKX-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-methyl-3-phenylbenzene 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-chloro-2-methyl-3-phenylbenzene?
The IUPAC name of 1-chloro-2-methyl-3-phenylbenzene (CID 4601832) is 1-chloro-2-methyl-3-phenylbenzene.
What is the SMILES notation for 1-chloro-2-methyl-3-phenylbenzene?
The canonical SMILES for 1-chloro-2-methyl-3-phenylbenzene is Cc1c(Cl)cccc1-c1ccccc1.
What is the InChIKey of 1-chloro-2-methyl-3-phenylbenzene?
The InChIKey is JNXJARJANRFDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl/c1-10-12(8-5-9-13(10)14)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of 1-chloro-2-methyl-3-phenylbenzene?
1-chloro-2-methyl-3-phenylbenzene has a molecular weight of 202.68 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-3-phenylbenzene is sourced from PubChem (CID 4601832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).