3-chloro-5-(furan-3-yl)benzoic acid

C11H7ClO3 — CID 107957228

IUPAC3-chloro-5-(furan-3-yl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccoc2)c1
InChIInChI=1S/C11H7ClO3/c12-10-4-8(7-1-2-15-6-7)3-9(5-10)11(13)14/h1-6H,(H,13,14)
InChIKeyBMUBUMTWAZYCTG-UHFFFAOYSA-N
MW222.63 g/mol
LogP3.30
Rot. Bonds2

About 3-chloro-5-(furan-3-yl)benzoic acid

3-chloro-5-(furan-3-yl)benzoic acid (PubChem CID 107957228) has the molecular formula C11H7ClO3 and a molecular weight of 222.63 g/mol. Its IUPAC name is 3-chloro-5-(furan-3-yl)benzoic acid.

Molecular Properties

Compound Name3-chloro-5-(furan-3-yl)benzoic acid
PubChem CID107957228
Molecular FormulaC11H7ClO3
Molecular Weight222.63 g/mol
Exact Mass222.01
IUPAC Name3-chloro-5-(furan-3-yl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccoc2)c1
InChIInChI=1S/C11H7ClO3/c12-10-4-8(7-1-2-15-6-7)3-9(5-10)11(13)14/h1-6H,(H,13,14)
InChIKeyBMUBUMTWAZYCTG-UHFFFAOYSA-N
XLogP3.30
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-carboxy-5-chlorophenyl)benzene-1,3-dicarboxylic acid
CID 53228361
6-chlorocyclopenta[c]pyran
CID 91426010
3-chloro-5-(furan-3-yl)aniline
CID 165490073
3-chloro-5-(3-hydroxyphenyl)benzoic acid
CID 53224975
3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid
CID 107957695
3-chloro-5-naphthalen-2-ylbenzoic acid
CID 53226810
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109
3-(furan-3-yl)-5-thiomorpholin-4-ylsulfonylbenzoic acid
CID 56868736
4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid
CID 53226840
3-chloro-5-(2,4-dichlorophenyl)benzoic acid
CID 53227684
6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid
CID 165445136
2-(furan-3-yl)pyridine-4-carboxylic acid
CID 91623804

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(furan-3-yl)benzoic acid?
The IUPAC name of 3-chloro-5-(furan-3-yl)benzoic acid (CID 107957228) is 3-chloro-5-(furan-3-yl)benzoic acid.
What is the SMILES notation for 3-chloro-5-(furan-3-yl)benzoic acid?
The canonical SMILES for 3-chloro-5-(furan-3-yl)benzoic acid is O=C(O)c1cc(Cl)cc(-c2ccoc2)c1.
What is the InChIKey of 3-chloro-5-(furan-3-yl)benzoic acid?
The InChIKey is BMUBUMTWAZYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO3/c12-10-4-8(7-1-2-15-6-7)3-9(5-10)11(13)14/h1-6H,(H,13,14).
What are the key properties of 3-chloro-5-(furan-3-yl)benzoic acid?
3-chloro-5-(furan-3-yl)benzoic acid has a molecular weight of 222.63 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(furan-3-yl)benzoic acid is sourced from PubChem (CID 107957228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).