4-(furan-2-yl)benzoic acid

C11H8O3 — CID 5138791

IUPAC4-(furan-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C11H8O3/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13)
InChIKeyFOJYVBSPOBUCMV-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.64
Rot. Bonds2

About 4-(furan-2-yl)benzoic acid

4-(furan-2-yl)benzoic acid (PubChem CID 5138791) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-(furan-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(furan-2-yl)benzoic acid
PubChem CID5138791
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name4-(furan-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C11H8O3/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13)
InChIKeyFOJYVBSPOBUCMV-UHFFFAOYSA-N
XLogP2.64
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)benzoic acid?
The IUPAC name of 4-(furan-2-yl)benzoic acid (CID 5138791) is 4-(furan-2-yl)benzoic acid.
What is the SMILES notation for 4-(furan-2-yl)benzoic acid?
The canonical SMILES for 4-(furan-2-yl)benzoic acid is O=C(O)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)benzoic acid?
The InChIKey is FOJYVBSPOBUCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13).
What are the key properties of 4-(furan-2-yl)benzoic acid?
4-(furan-2-yl)benzoic acid has a molecular weight of 188.18 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)benzoic acid is sourced from PubChem (CID 5138791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).