2-chloro-4-(furan-2-ylmethoxy)benzoic acid

C12H9ClO4 — CID 62946408

IUPAC2-chloro-4-(furan-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCc2ccco2)cc1Cl
InChIInChI=1S/C12H9ClO4/c13-11-6-8(3-4-10(11)12(14)15)17-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15)
InChIKeyPKMZEURODUULJI-UHFFFAOYSA-N
MW252.65 g/mol
LogP3.21
Rot. Bonds4

About 2-chloro-4-(furan-2-ylmethoxy)benzoic acid

2-chloro-4-(furan-2-ylmethoxy)benzoic acid (PubChem CID 62946408) has the molecular formula C12H9ClO4 and a molecular weight of 252.65 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(furan-2-ylmethoxy)benzoic acid
PubChem CID62946408
Molecular FormulaC12H9ClO4
Molecular Weight252.65 g/mol
Exact Mass252.02
IUPAC Name2-chloro-4-(furan-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCc2ccco2)cc1Cl
InChIInChI=1S/C12H9ClO4/c13-11-6-8(3-4-10(11)12(14)15)17-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15)
InChIKeyPKMZEURODUULJI-UHFFFAOYSA-N
XLogP3.21
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(furan-2-ylmethoxy)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-(furan-2-ylmethoxy)benzoic acid
CID 28604768
2-[(3,4-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 43419560
1-[5-(furan-2-ylmethoxy)-2-nitrophenyl]ethanone
CID 104613742
2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 43477550
2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 62946093
4-(2-aminopropoxy)-2-chlorobenzoic acid
CID 167724006
2-[(2,4,6-trichlorophenoxy)methyl]furan
CID 53443486
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid
CID 63183787
2-[(4-iodophenoxy)methyl]furan
CID 60772612
1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone
CID 83120059
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(furan-2-ylmethoxy)benzoic acid?
The IUPAC name of 2-chloro-4-(furan-2-ylmethoxy)benzoic acid (CID 62946408) is 2-chloro-4-(furan-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-chloro-4-(furan-2-ylmethoxy)benzoic acid?
The canonical SMILES for 2-chloro-4-(furan-2-ylmethoxy)benzoic acid is O=C(O)c1ccc(OCc2ccco2)cc1Cl.
What is the InChIKey of 2-chloro-4-(furan-2-ylmethoxy)benzoic acid?
The InChIKey is PKMZEURODUULJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO4/c13-11-6-8(3-4-10(11)12(14)15)17-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15).
What are the key properties of 2-chloro-4-(furan-2-ylmethoxy)benzoic acid?
2-chloro-4-(furan-2-ylmethoxy)benzoic acid has a molecular weight of 252.65 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(furan-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 62946408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).