2-ethyl-1H-naphthalene-2-carboxylic acid

C13H14O2 — CID 152740834

IUPAC2-ethyl-1H-naphthalene-2-carboxylic acid
SMILESCCC1(C(=O)O)C=Cc2ccccc2C1
InChIInChI=1S/C13H14O2/c1-2-13(12(14)15)8-7-10-5-3-4-6-11(10)9-13/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyZZOQTERGAKBFRP-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.74
Rot. Bonds2

About 2-ethyl-1H-naphthalene-2-carboxylic acid

2-ethyl-1H-naphthalene-2-carboxylic acid (PubChem CID 152740834) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-ethyl-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1H-naphthalene-2-carboxylic acid
PubChem CID152740834
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-ethyl-1H-naphthalene-2-carboxylic acid
SMILESCCC1(C(=O)O)C=Cc2ccccc2C1
InChIInChI=1S/C13H14O2/c1-2-13(12(14)15)8-7-10-5-3-4-6-11(10)9-13/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyZZOQTERGAKBFRP-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-1H-naphthalene-2-carboxylic acid 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-ethyl-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-ethyl-1H-naphthalene-2-carboxylic acid (CID 152740834) is 2-ethyl-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1H-naphthalene-2-carboxylic acid is CCC1(C(=O)O)C=Cc2ccccc2C1.
What is the InChIKey of 2-ethyl-1H-naphthalene-2-carboxylic acid?
The InChIKey is ZZOQTERGAKBFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-13(12(14)15)8-7-10-5-3-4-6-11(10)9-13/h3-8H,2,9H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-1H-naphthalene-2-carboxylic acid?
2-ethyl-1H-naphthalene-2-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 152740834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).