2-(6-methoxynaphthalen-2-yl)butanoic acid

C15H16O3 — CID 13292509

IUPAC2-(6-methoxynaphthalen-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17)
InChIKeyLSDAHSHHKKHOKE-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.43
Rot. Bonds4

About 2-(6-methoxynaphthalen-2-yl)butanoic acid

2-(6-methoxynaphthalen-2-yl)butanoic acid (PubChem CID 13292509) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)butanoic acid
PubChem CID13292509
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-(6-methoxynaphthalen-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17)
InChIKeyLSDAHSHHKKHOKE-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-methoxynaphthalen-2-yl)butanoic 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-(6-methoxynaphthalen-2-yl)butanoic acid?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)butanoic acid (CID 13292509) is 2-(6-methoxynaphthalen-2-yl)butanoic acid.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)butanoic acid?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)butanoic acid is CCC(C(=O)O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)butanoic acid?
The InChIKey is LSDAHSHHKKHOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-(6-methoxynaphthalen-2-yl)butanoic acid?
2-(6-methoxynaphthalen-2-yl)butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)butanoic acid is sourced from PubChem (CID 13292509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).