1-chloro-3-methylnaphthalene

C11H9Cl — CID 14756593

IUPAC1-chloro-3-methylnaphthalene
SMILESCc1cc(Cl)c2ccccc2c1
InChIInChI=1S/C11H9Cl/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-7H,1H3
InChIKeyFVWGPYXKBKTNEC-UHFFFAOYSA-N
MW176.65 g/mol
LogP3.80
Rot. Bonds

About 1-chloro-3-methylnaphthalene

1-chloro-3-methylnaphthalene (PubChem CID 14756593) has the molecular formula C11H9Cl and a molecular weight of 176.65 g/mol. Its IUPAC name is 1-chloro-3-methylnaphthalene.

Molecular Properties

Compound Name1-chloro-3-methylnaphthalene
PubChem CID14756593
Molecular FormulaC11H9Cl
Molecular Weight176.65 g/mol
Exact Mass176.04
IUPAC Name1-chloro-3-methylnaphthalene
SMILESCc1cc(Cl)c2ccccc2c1
InChIInChI=1S/C11H9Cl/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-7H,1H3
InChIKeyFVWGPYXKBKTNEC-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylnaphthalene?
The IUPAC name of 1-chloro-3-methylnaphthalene (CID 14756593) is 1-chloro-3-methylnaphthalene.
What is the SMILES notation for 1-chloro-3-methylnaphthalene?
The canonical SMILES for 1-chloro-3-methylnaphthalene is Cc1cc(Cl)c2ccccc2c1.
What is the InChIKey of 1-chloro-3-methylnaphthalene?
The InChIKey is FVWGPYXKBKTNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-7H,1H3.
What are the key properties of 1-chloro-3-methylnaphthalene?
1-chloro-3-methylnaphthalene has a molecular weight of 176.65 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylnaphthalene is sourced from PubChem (CID 14756593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).