2-ethoxynaphthalene

C12H12O — CID 7129

IUPAC2-ethoxynaphthalene
SMILESCCOc1ccc2ccccc2c1
InChIInChI=1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKeyGUMOJENFFHZAFP-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.24
Rot. Bonds2

About 2-ethoxynaphthalene

2-ethoxynaphthalene (PubChem CID 7129) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-ethoxynaphthalene.

Molecular Properties

Compound Name2-ethoxynaphthalene
PubChem CID7129
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2-ethoxynaphthalene
SMILESCCOc1ccc2ccccc2c1
InChIInChI=1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKeyGUMOJENFFHZAFP-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 2-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 2-ethoxynaphthalene?
The IUPAC name of 2-ethoxynaphthalene (CID 7129) is 2-ethoxynaphthalene.
What is the SMILES notation for 2-ethoxynaphthalene?
The canonical SMILES for 2-ethoxynaphthalene is CCOc1ccc2ccccc2c1.
What is the InChIKey of 2-ethoxynaphthalene?
The InChIKey is GUMOJENFFHZAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3.
What are the key properties of 2-ethoxynaphthalene?
2-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 2-ethoxynaphthalene is sourced from PubChem (CID 7129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).