1-methoxynaphthalene

C11H10O — CID 16668

IUPAC1-methoxynaphthalene
SMILESCOc1cccc2ccccc12
InChIInChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyNQMUGNMMFTYOHK-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.85
Rot. Bonds1

About 1-methoxynaphthalene

1-methoxynaphthalene (PubChem CID 16668) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methoxynaphthalene.

Molecular Properties

Compound Name1-methoxynaphthalene
PubChem CID16668
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name1-methoxynaphthalene
SMILESCOc1cccc2ccccc12
InChIInChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyNQMUGNMMFTYOHK-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxynaphthalene?
The IUPAC name of 1-methoxynaphthalene (CID 16668) is 1-methoxynaphthalene.
What is the SMILES notation for 1-methoxynaphthalene?
The canonical SMILES for 1-methoxynaphthalene is COc1cccc2ccccc12.
What is the InChIKey of 1-methoxynaphthalene?
The InChIKey is NQMUGNMMFTYOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3.
What are the key properties of 1-methoxynaphthalene?
1-methoxynaphthalene has a molecular weight of 158.20 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxynaphthalene is sourced from PubChem (CID 16668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).