1-ethoxynaphthalene

C12H12O — CID 21403

IUPAC1-ethoxynaphthalene
SMILESCCOc1cccc2ccccc12
InChIInChI=1S/C12H12O/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKeyAPWZAIZNWQFZBK-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.24
Rot. Bonds2

About 1-ethoxynaphthalene

1-ethoxynaphthalene (PubChem CID 21403) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-ethoxynaphthalene.

Molecular Properties

Compound Name1-ethoxynaphthalene
PubChem CID21403
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name1-ethoxynaphthalene
SMILESCCOc1cccc2ccccc12
InChIInChI=1S/C12H12O/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKeyAPWZAIZNWQFZBK-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethoxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxynaphthalene?
The IUPAC name of 1-ethoxynaphthalene (CID 21403) is 1-ethoxynaphthalene.
What is the SMILES notation for 1-ethoxynaphthalene?
The canonical SMILES for 1-ethoxynaphthalene is CCOc1cccc2ccccc12.
What is the InChIKey of 1-ethoxynaphthalene?
The InChIKey is APWZAIZNWQFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3.
What are the key properties of 1-ethoxynaphthalene?
1-ethoxynaphthalene has a molecular weight of 172.23 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxynaphthalene is sourced from PubChem (CID 21403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).