2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid

C15H13ClO4 — CID 170873582

IUPAC2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
SMILESCOc1cccc(OCc2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C15H13ClO4/c1-19-12-7-4-8-13(14(12)15(17)18)20-9-10-5-2-3-6-11(10)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyACCRPNRWSJHSOF-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.63
Rot. Bonds5

About 2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid

2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid (PubChem CID 170873582) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
PubChem CID170873582
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
SMILESCOc1cccc(OCc2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C15H13ClO4/c1-19-12-7-4-8-13(14(12)15(17)18)20-9-10-5-2-3-6-11(10)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyACCRPNRWSJHSOF-UHFFFAOYSA-N
XLogP3.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic 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

2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 43380062
methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate
CID 46735306
2-chloro-6-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 102856041
(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2392110
2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 115982957
2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
CID 113276788
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
CID 78975229
2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
CID 62496881
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid
CID 106262540

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid (CID 170873582) is 2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid is COc1cccc(OCc2ccccc2Cl)c1C(=O)O.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid?
The InChIKey is ACCRPNRWSJHSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-19-12-7-4-8-13(14(12)15(17)18)20-9-10-5-2-3-6-11(10)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid?
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid has a molecular weight of 292.72 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid is sourced from PubChem (CID 170873582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).