2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid

C20H17ClO3 — CID 129163524

IUPAC2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid
SMILESCOCc1cc2ccccc2c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C20H17ClO3/c1-24-12-15-10-14-4-2-3-5-17(14)20(18(15)11-19(22)23)13-6-8-16(21)9-7-13/h2-10H,11-12H2,1H3,(H,22,23)
InChIKeyHLIDTWFDYHXWLF-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.93
Rot. Bonds5

About 2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid

2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid (PubChem CID 129163524) has the molecular formula C20H17ClO3 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid
PubChem CID129163524
Molecular FormulaC20H17ClO3
Molecular Weight340.81 g/mol
Exact Mass340.09
IUPAC Name2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid
SMILESCOCc1cc2ccccc2c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C20H17ClO3/c1-24-12-15-10-14-4-2-3-5-17(14)20(18(15)11-19(22)23)13-6-8-16(21)9-7-13/h2-10H,11-12H2,1H3,(H,22,23)
InChIKeyHLIDTWFDYHXWLF-UHFFFAOYSA-N
XLogP4.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(4-chlorophenyl)-3-(methoxymethyl)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

Related Compounds

1,3-dibutyl-2-(4-chlorophenyl)naphthalene
CID 174415687
2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid
CID 134390966
9-(methoxymethyl)phenanthrene
CID 15557052
3-(carboxymethyl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 4068247
2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid
CID 68588391
3-(methoxymethyl)naphthalene-2-carboxylic acid
CID 132596930
1-(4-chlorophenyl)-2,3-dimethylnaphthalene
CID 123950118
2-[1-(4-chlorophenyl)-7-(3-hydroxy-3-phenylbut-1-ynyl)-3-methylnaphthalen-2-yl]acetic acid
CID 152648391
1-(4-chlorophenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalene-2-carboxylic acid
CID 139835013
2-(4-chlorophenyl)-1-(methoxymethyl)-3-nitrobenzene
CID 58826700
methyl N-[3-(4-chlorophenyl)-1-oxoisoquinolin-2-yl]carbamate
CID 134913400
5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid
CID 83894548

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid (CID 129163524) is 2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid is COCc1cc2ccccc2c(-c2ccc(Cl)cc2)c1CC(=O)O.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid?
The InChIKey is HLIDTWFDYHXWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO3/c1-24-12-15-10-14-4-2-3-5-17(14)20(18(15)11-19(22)23)13-6-8-16(21)9-7-13/h2-10H,11-12H2,1H3,(H,22,23).
What are the key properties of 2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid?
2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid has a molecular weight of 340.81 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid is sourced from PubChem (CID 129163524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).