2-methoxy-2-naphthalen-1-ylpropanoic acid

C14H14O3 — CID 11218470

IUPAC2-methoxy-2-naphthalen-1-ylpropanoic acid
SMILESCOC(C)(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H14O3/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16)
InChIKeyYVWMPILNFZOQSZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.79
Rot. Bonds3

About 2-methoxy-2-naphthalen-1-ylpropanoic acid

2-methoxy-2-naphthalen-1-ylpropanoic acid (PubChem CID 11218470) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-methoxy-2-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name2-methoxy-2-naphthalen-1-ylpropanoic acid
PubChem CID11218470
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-methoxy-2-naphthalen-1-ylpropanoic acid
SMILESCOC(C)(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H14O3/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16)
InChIKeyYVWMPILNFZOQSZ-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-2-naphthalen-1-ylpropanoic 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-methoxy-2-naphthalen-1-ylpropanoic acid?
The IUPAC name of 2-methoxy-2-naphthalen-1-ylpropanoic acid (CID 11218470) is 2-methoxy-2-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 2-methoxy-2-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 2-methoxy-2-naphthalen-1-ylpropanoic acid is COC(C)(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-methoxy-2-naphthalen-1-ylpropanoic acid?
The InChIKey is YVWMPILNFZOQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16).
What are the key properties of 2-methoxy-2-naphthalen-1-ylpropanoic acid?
2-methoxy-2-naphthalen-1-ylpropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 11218470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).