3-chloro-1-methylnaphthalene

C11H9Cl — CID 18673645

IUPAC3-chloro-1-methylnaphthalene
SMILESCc1cc(Cl)cc2ccccc12
InChIInChI=1S/C11H9Cl/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h2-7H,1H3
InChIKeyOXAHAOCNSXWPED-UHFFFAOYSA-N
MW176.65 g/mol
LogP3.80
Rot. Bonds

About 3-chloro-1-methylnaphthalene

3-chloro-1-methylnaphthalene (PubChem CID 18673645) has the molecular formula C11H9Cl and a molecular weight of 176.65 g/mol. Its IUPAC name is 3-chloro-1-methylnaphthalene.

Molecular Properties

Compound Name3-chloro-1-methylnaphthalene
PubChem CID18673645
Molecular FormulaC11H9Cl
Molecular Weight176.65 g/mol
Exact Mass176.04
IUPAC Name3-chloro-1-methylnaphthalene
SMILESCc1cc(Cl)cc2ccccc12
InChIInChI=1S/C11H9Cl/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h2-7H,1H3
InChIKeyOXAHAOCNSXWPED-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 3-chloro-1-methylnaphthalene?
The IUPAC name of 3-chloro-1-methylnaphthalene (CID 18673645) is 3-chloro-1-methylnaphthalene.
What is the SMILES notation for 3-chloro-1-methylnaphthalene?
The canonical SMILES for 3-chloro-1-methylnaphthalene is Cc1cc(Cl)cc2ccccc12.
What is the InChIKey of 3-chloro-1-methylnaphthalene?
The InChIKey is OXAHAOCNSXWPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h2-7H,1H3.
What are the key properties of 3-chloro-1-methylnaphthalene?
3-chloro-1-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 3-chloro-1-methylnaphthalene is sourced from PubChem (CID 18673645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).