4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid

C15H14O4 — CID 19782206

IUPAC4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid
SMILESCOc1c(C(=O)CCC(=O)O)ccc2ccccc12
InChIInChI=1S/C15H14O4/c1-19-15-11-5-3-2-4-10(11)6-7-12(15)13(16)8-9-14(17)18/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyMEJIRLDTUCOUBC-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.90
Rot. Bonds5

About 4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid

4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid (PubChem CID 19782206) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid
PubChem CID19782206
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid
SMILESCOc1c(C(=O)CCC(=O)O)ccc2ccccc12
InChIInChI=1S/C15H14O4/c1-19-15-11-5-3-2-4-10(11)6-7-12(15)13(16)8-9-14(17)18/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyMEJIRLDTUCOUBC-UHFFFAOYSA-N
XLogP2.90
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-4-perylen-1-ylbutanoic acid
CID 86645554
2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
CID 71587270
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191
4-(4-formylnaphthalen-1-yl)-4-oxobutanoic acid
CID 137411551
3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
CID 14472243
1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride
CID 59532605
4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
CID 91102040
4-(2-acetylphenyl)-4-oxobutanoic acid
CID 67451977
1-(2,3-dimethoxyphenyl)-3-(1-hydroxynaphthalen-2-yl)propane-1,3-dione
CID 141317727
N-(4-fluorophenyl)-1-methoxynaphthalene-2-carboxamide
CID 141440290
lithium;benzene;1-methoxynaphthalene-2-carboxylic acid;1-phenylnaphthalene-2-carboxylic acid
CID 159001205
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid (CID 19782206) is 4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid is COc1c(C(=O)CCC(=O)O)ccc2ccccc12.
What is the InChIKey of 4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid?
The InChIKey is MEJIRLDTUCOUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-19-15-11-5-3-2-4-10(11)6-7-12(15)13(16)8-9-14(17)18/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of 4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid?
4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid has a molecular weight of 258.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid is sourced from PubChem (CID 19782206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).