2-chloro-3-(chloromethyl)naphthalene

C11H8Cl2 — CID 15205140

IUPAC2-chloro-3-(chloromethyl)naphthalene
SMILESClCc1cc2ccccc2cc1Cl
InChIInChI=1S/C11H8Cl2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-6H,7H2
InChIKeyQWAKCYVLWFZTGH-UHFFFAOYSA-N
MW211.09 g/mol
LogP4.23
Rot. Bonds1

About 2-chloro-3-(chloromethyl)naphthalene

2-chloro-3-(chloromethyl)naphthalene (PubChem CID 15205140) has the molecular formula C11H8Cl2 and a molecular weight of 211.09 g/mol. Its IUPAC name is 2-chloro-3-(chloromethyl)naphthalene.

Molecular Properties

Compound Name2-chloro-3-(chloromethyl)naphthalene
PubChem CID15205140
Molecular FormulaC11H8Cl2
Molecular Weight211.09 g/mol
Exact Mass210.00
IUPAC Name2-chloro-3-(chloromethyl)naphthalene
SMILESClCc1cc2ccccc2cc1Cl
InChIInChI=1S/C11H8Cl2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-6H,7H2
InChIKeyQWAKCYVLWFZTGH-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-3-(chloromethyl)naphthalene 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 2-chloro-3-(chloromethyl)naphthalene?
The IUPAC name of 2-chloro-3-(chloromethyl)naphthalene (CID 15205140) is 2-chloro-3-(chloromethyl)naphthalene.
What is the SMILES notation for 2-chloro-3-(chloromethyl)naphthalene?
The canonical SMILES for 2-chloro-3-(chloromethyl)naphthalene is ClCc1cc2ccccc2cc1Cl.
What is the InChIKey of 2-chloro-3-(chloromethyl)naphthalene?
The InChIKey is QWAKCYVLWFZTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-6H,7H2.
What are the key properties of 2-chloro-3-(chloromethyl)naphthalene?
2-chloro-3-(chloromethyl)naphthalene has a molecular weight of 211.09 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethyl)naphthalene is sourced from PubChem (CID 15205140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).