2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid

C14H18O3 — CID 105494487

IUPAC2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
SMILESCOC1(CC(=O)O)CCc2cccc(C)c2C1
InChIInChI=1S/C14H18O3/c1-10-4-3-5-11-6-7-14(17-2,8-12(10)11)9-13(15)16/h3-5H,6-9H2,1-2H3,(H,15,16)
InChIKeyOXCTUAXKJMXIIR-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.34
Rot. Bonds3

About 2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid

2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid (PubChem CID 105494487) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
PubChem CID105494487
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
SMILESCOC1(CC(=O)O)CCc2cccc(C)c2C1
InChIInChI=1S/C14H18O3/c1-10-4-3-5-11-6-7-14(17-2,8-12(10)11)9-13(15)16/h3-5H,6-9H2,1-2H3,(H,15,16)
InChIKeyOXCTUAXKJMXIIR-UHFFFAOYSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic 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-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
The IUPAC name of 2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid (CID 105494487) is 2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid is COC1(CC(=O)O)CCc2cccc(C)c2C1.
What is the InChIKey of 2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
The InChIKey is OXCTUAXKJMXIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-4-3-5-11-6-7-14(17-2,8-12(10)11)9-13(15)16/h3-5H,6-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid has a molecular weight of 234.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid is sourced from PubChem (CID 105494487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).