2-chloro-6-methoxynaphthalene

C11H9ClO — CID 3017805

IUPAC2-chloro-6-methoxynaphthalene
SMILESCOc1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C11H9ClO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3
InChIKeyDFJBXCAVJOGNDS-UHFFFAOYSA-N
MW192.64 g/mol
LogP3.50
Rot. Bonds1

About 2-chloro-6-methoxynaphthalene

2-chloro-6-methoxynaphthalene (PubChem CID 3017805) has the molecular formula C11H9ClO and a molecular weight of 192.64 g/mol. Its IUPAC name is 2-chloro-6-methoxynaphthalene.

Molecular Properties

Compound Name2-chloro-6-methoxynaphthalene
PubChem CID3017805
Molecular FormulaC11H9ClO
Molecular Weight192.64 g/mol
Exact Mass192.03
IUPAC Name2-chloro-6-methoxynaphthalene
SMILESCOc1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C11H9ClO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3
InChIKeyDFJBXCAVJOGNDS-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.64
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxynaphthalene?
The IUPAC name of 2-chloro-6-methoxynaphthalene (CID 3017805) is 2-chloro-6-methoxynaphthalene.
What is the SMILES notation for 2-chloro-6-methoxynaphthalene?
The canonical SMILES for 2-chloro-6-methoxynaphthalene is COc1ccc2cc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-6-methoxynaphthalene?
The InChIKey is DFJBXCAVJOGNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3.
What are the key properties of 2-chloro-6-methoxynaphthalene?
2-chloro-6-methoxynaphthalene has a molecular weight of 192.64 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxynaphthalene is sourced from PubChem (CID 3017805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).