3-chloro-2-(2-methoxyphenoxy)benzoic acid

C14H11ClO4 — CID 113434883

IUPAC3-chloro-2-(2-methoxyphenoxy)benzoic acid
SMILESCOc1ccccc1Oc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C14H11ClO4/c1-18-11-7-2-3-8-12(11)19-13-9(14(16)17)5-4-6-10(13)15/h2-8H,1H3,(H,16,17)
InChIKeyUYPKIFWLSWTUHJ-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.84
Rot. Bonds4

About 3-chloro-2-(2-methoxyphenoxy)benzoic acid

3-chloro-2-(2-methoxyphenoxy)benzoic acid (PubChem CID 113434883) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is 3-chloro-2-(2-methoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name3-chloro-2-(2-methoxyphenoxy)benzoic acid
PubChem CID113434883
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name3-chloro-2-(2-methoxyphenoxy)benzoic acid
SMILESCOc1ccccc1Oc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C14H11ClO4/c1-18-11-7-2-3-8-12(11)19-13-9(14(16)17)5-4-6-10(13)15/h2-8H,1H3,(H,16,17)
InChIKeyUYPKIFWLSWTUHJ-UHFFFAOYSA-N
XLogP3.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-(2-methoxyphenoxy)benzoic 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

2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
CID 112612004
3-chloro-2-(3,5-dimethylphenoxy)benzoic acid
CID 114067369
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
3-chloro-2-pentan-3-yloxybenzoic acid
CID 112612073
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
3-chloro-2-[3-(dimethylamino)phenoxy]benzoic acid
CID 104629531
3-chloro-2-heptoxybenzoic acid
CID 112611877
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-methoxyphenoxy)benzoic acid?
The IUPAC name of 3-chloro-2-(2-methoxyphenoxy)benzoic acid (CID 113434883) is 3-chloro-2-(2-methoxyphenoxy)benzoic acid.
What is the SMILES notation for 3-chloro-2-(2-methoxyphenoxy)benzoic acid?
The canonical SMILES for 3-chloro-2-(2-methoxyphenoxy)benzoic acid is COc1ccccc1Oc1c(Cl)cccc1C(=O)O.
What is the InChIKey of 3-chloro-2-(2-methoxyphenoxy)benzoic acid?
The InChIKey is UYPKIFWLSWTUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4/c1-18-11-7-2-3-8-12(11)19-13-9(14(16)17)5-4-6-10(13)15/h2-8H,1H3,(H,16,17).
What are the key properties of 3-chloro-2-(2-methoxyphenoxy)benzoic acid?
3-chloro-2-(2-methoxyphenoxy)benzoic acid has a molecular weight of 278.69 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-methoxyphenoxy)benzoic acid is sourced from PubChem (CID 113434883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).