4-(5-chloro-2-methoxyphenyl)phthalic acid

C15H11ClO5 — CID 21072423

IUPAC4-(5-chloro-2-methoxyphenyl)phthalic acid
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C15H11ClO5/c1-21-13-5-3-9(16)7-11(13)8-2-4-10(14(17)18)12(6-8)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyASKVQUDFFYBYKI-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.41
Rot. Bonds4

About 4-(5-chloro-2-methoxyphenyl)phthalic acid

4-(5-chloro-2-methoxyphenyl)phthalic acid (PubChem CID 21072423) has the molecular formula C15H11ClO5 and a molecular weight of 306.70 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)phthalic acid.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)phthalic acid
PubChem CID21072423
Molecular FormulaC15H11ClO5
Molecular Weight306.70 g/mol
Exact Mass306.03
IUPAC Name4-(5-chloro-2-methoxyphenyl)phthalic acid
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C15H11ClO5/c1-21-13-5-3-9(16)7-11(13)8-2-4-10(14(17)18)12(6-8)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyASKVQUDFFYBYKI-UHFFFAOYSA-N
XLogP3.41
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(5-chloro-2-methoxyphenyl)phthalic 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

5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223935
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid
CID 10276187
[2-chloro-4-(5-chloro-2-methoxyphenyl)phenyl]-(1,2-oxazolidin-2-yl)methanone
CID 68606357
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
5-chloro-2-methoxybenzoate
CID 6933314
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)phthalic acid?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)phthalic acid (CID 21072423) is 4-(5-chloro-2-methoxyphenyl)phthalic acid.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)phthalic acid?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)phthalic acid is COc1ccc(Cl)cc1-c1ccc(C(=O)O)c(C(=O)O)c1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)phthalic acid?
The InChIKey is ASKVQUDFFYBYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO5/c1-21-13-5-3-9(16)7-11(13)8-2-4-10(14(17)18)12(6-8)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)phthalic acid?
4-(5-chloro-2-methoxyphenyl)phthalic acid has a molecular weight of 306.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)phthalic acid is sourced from PubChem (CID 21072423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).