3-chloro-2H-naphthalene

C10H7Cl — CID 152757134

IUPAC3-chloro-2H-naphthalene
SMILESClC1=C=c2ccccc2=CC1
InChIInChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-5H,6H2
InChIKeyILRHONYLVFQERB-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.37
Rot. Bonds

About 3-chloro-2H-naphthalene

3-chloro-2H-naphthalene (PubChem CID 152757134) has the molecular formula C10H7Cl and a molecular weight of 162.62 g/mol. Its IUPAC name is 3-chloro-2H-naphthalene.

Molecular Properties

Compound Name3-chloro-2H-naphthalene
PubChem CID152757134
Molecular FormulaC10H7Cl
Molecular Weight162.62 g/mol
Exact Mass162.02
IUPAC Name3-chloro-2H-naphthalene
SMILESClC1=C=c2ccccc2=CC1
InChIInChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-5H,6H2
InChIKeyILRHONYLVFQERB-UHFFFAOYSA-N
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-chloro-2H-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 3-chloro-2H-naphthalene?
The IUPAC name of 3-chloro-2H-naphthalene (CID 152757134) is 3-chloro-2H-naphthalene.
What is the SMILES notation for 3-chloro-2H-naphthalene?
The canonical SMILES for 3-chloro-2H-naphthalene is ClC1=C=c2ccccc2=CC1.
What is the InChIKey of 3-chloro-2H-naphthalene?
The InChIKey is ILRHONYLVFQERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-5H,6H2.
What are the key properties of 3-chloro-2H-naphthalene?
3-chloro-2H-naphthalene has a molecular weight of 162.62 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2H-naphthalene is sourced from PubChem (CID 152757134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).