2-chloro-1H-naphthalene

C10H7Cl — CID 152755620

IUPAC2-chloro-1H-naphthalene
SMILESClC1=CC=C2C=C=CC=C2C1
InChIInChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h2-6H,7H2
InChIKeyCVOOJZXRRLLABV-UHFFFAOYSA-N
MW162.62 g/mol
LogP3.09
Rot. Bonds

About 2-chloro-1H-naphthalene

2-chloro-1H-naphthalene (PubChem CID 152755620) has the molecular formula C10H7Cl and a molecular weight of 162.62 g/mol. Its IUPAC name is 2-chloro-1H-naphthalene.

Molecular Properties

Compound Name2-chloro-1H-naphthalene
PubChem CID152755620
Molecular FormulaC10H7Cl
Molecular Weight162.62 g/mol
Exact Mass162.02
IUPAC Name2-chloro-1H-naphthalene
SMILESClC1=CC=C2C=C=CC=C2C1
InChIInChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h2-6H,7H2
InChIKeyCVOOJZXRRLLABV-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-chloro-1H-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-1H-naphthalene?
The IUPAC name of 2-chloro-1H-naphthalene (CID 152755620) is 2-chloro-1H-naphthalene.
What is the SMILES notation for 2-chloro-1H-naphthalene?
The canonical SMILES for 2-chloro-1H-naphthalene is ClC1=CC=C2C=C=CC=C2C1.
What is the InChIKey of 2-chloro-1H-naphthalene?
The InChIKey is CVOOJZXRRLLABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h2-6H,7H2.
What are the key properties of 2-chloro-1H-naphthalene?
2-chloro-1H-naphthalene has a molecular weight of 162.62 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1H-naphthalene is sourced from PubChem (CID 152755620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).