5-(2-chlorophenyl)furan-2-carboxylic acid

C11H7ClO3 — CID 784625

IUPAC5-(2-chlorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKeyPJGGWIHXGHQXMM-UHFFFAOYSA-N
MW222.63 g/mol
LogP3.30
Rot. Bonds2

About 5-(2-chlorophenyl)furan-2-carboxylic acid

5-(2-chlorophenyl)furan-2-carboxylic acid (PubChem CID 784625) has the molecular formula C11H7ClO3 and a molecular weight of 222.63 g/mol. Its IUPAC name is 5-(2-chlorophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chlorophenyl)furan-2-carboxylic acid
PubChem CID784625
Molecular FormulaC11H7ClO3
Molecular Weight222.63 g/mol
Exact Mass222.01
IUPAC Name5-(2-chlorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKeyPJGGWIHXGHQXMM-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

1-[4-[5-(2-chlorophenyl)furan-2-carbothioyl]piperazin-1-yl]ethanone
CID 5069748
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-naphthalen-1-ylfuran-2-carboxylic acid
CID 43332928
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600
(2R)-2-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119368356
5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075065
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435
5-(2-chlorophenyl)-N'-(cyclohexanecarbonyl)furan-2-carbohydrazide
CID 9086350
(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid
CID 166627868

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-chlorophenyl)furan-2-carboxylic acid (CID 784625) is 5-(2-chlorophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-chlorophenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-chlorophenyl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)furan-2-carboxylic acid?
The InChIKey is PJGGWIHXGHQXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14).
What are the key properties of 5-(2-chlorophenyl)furan-2-carboxylic acid?
5-(2-chlorophenyl)furan-2-carboxylic 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 5-(2-chlorophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 784625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).