7-chloro-1-methylnaphthalene

C11H9Cl — CID 21300595

IUPAC7-chloro-1-methylnaphthalene
SMILESCc1cccc2ccc(Cl)cc12
InChIInChI=1S/C11H9Cl/c1-8-3-2-4-9-5-6-10(12)7-11(8)9/h2-7H,1H3
InChIKeyQVDGCFTUMWCSDK-UHFFFAOYSA-N
MW176.65 g/mol
LogP3.80
Rot. Bonds

About 7-chloro-1-methylnaphthalene

7-chloro-1-methylnaphthalene (PubChem CID 21300595) has the molecular formula C11H9Cl and a molecular weight of 176.65 g/mol. Its IUPAC name is 7-chloro-1-methylnaphthalene.

Molecular Properties

Compound Name7-chloro-1-methylnaphthalene
PubChem CID21300595
Molecular FormulaC11H9Cl
Molecular Weight176.65 g/mol
Exact Mass176.04
IUPAC Name7-chloro-1-methylnaphthalene
SMILESCc1cccc2ccc(Cl)cc12
InChIInChI=1S/C11H9Cl/c1-8-3-2-4-9-5-6-10(12)7-11(8)9/h2-7H,1H3
InChIKeyQVDGCFTUMWCSDK-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 7-chloro-1-methylnaphthalene?
The IUPAC name of 7-chloro-1-methylnaphthalene (CID 21300595) is 7-chloro-1-methylnaphthalene.
What is the SMILES notation for 7-chloro-1-methylnaphthalene?
The canonical SMILES for 7-chloro-1-methylnaphthalene is Cc1cccc2ccc(Cl)cc12.
What is the InChIKey of 7-chloro-1-methylnaphthalene?
The InChIKey is QVDGCFTUMWCSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl/c1-8-3-2-4-9-5-6-10(12)7-11(8)9/h2-7H,1H3.
What are the key properties of 7-chloro-1-methylnaphthalene?
7-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 7-chloro-1-methylnaphthalene is sourced from PubChem (CID 21300595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).