6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid

C15H16O4 — CID 82372358

IUPAC6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid
SMILESCCc1ccc2cc(C(=O)O)cc(OCCO)c2c1
InChIInChI=1S/C15H16O4/c1-2-10-3-4-11-8-12(15(17)18)9-14(13(11)7-10)19-6-5-16/h3-4,7-9,16H,2,5-6H2,1H3,(H,17,18)
InChIKeyYRKLZRJUHUEAJI-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.47
Rot. Bonds5

About 6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid

6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid (PubChem CID 82372358) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid
PubChem CID82372358
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid
SMILESCCc1ccc2cc(C(=O)O)cc(OCCO)c2c1
InChIInChI=1S/C15H16O4/c1-2-10-3-4-11-8-12(15(17)18)9-14(13(11)7-10)19-6-5-16/h3-4,7-9,16H,2,5-6H2,1H3,(H,17,18)
InChIKeyYRKLZRJUHUEAJI-UHFFFAOYSA-N
XLogP2.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-4-(2-hydroxyethoxy)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 6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid (CID 82372358) is 6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid is CCc1ccc2cc(C(=O)O)cc(OCCO)c2c1.
What is the InChIKey of 6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid?
The InChIKey is YRKLZRJUHUEAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-2-10-3-4-11-8-12(15(17)18)9-14(13(11)7-10)19-6-5-16/h3-4,7-9,16H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid?
6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 82372358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).