3-[4-(furan-2-yl)phenyl]benzoic acid

C17H12O3 — CID 168527049

IUPAC3-[4-(furan-2-yl)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(-c3ccco3)cc2)c1
InChIInChI=1S/C17H12O3/c18-17(19)15-4-1-3-14(11-15)12-6-8-13(9-7-12)16-5-2-10-20-16/h1-11H,(H,18,19)
InChIKeyRFFDVBHQSHVUIH-UHFFFAOYSA-N
MW264.28 g/mol
LogP4.31
Rot. Bonds3

About 3-[4-(furan-2-yl)phenyl]benzoic acid

3-[4-(furan-2-yl)phenyl]benzoic acid (PubChem CID 168527049) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[4-(furan-2-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name3-[4-(furan-2-yl)phenyl]benzoic acid
PubChem CID168527049
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name3-[4-(furan-2-yl)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(-c3ccco3)cc2)c1
InChIInChI=1S/C17H12O3/c18-17(19)15-4-1-3-14(11-15)12-6-8-13(9-7-12)16-5-2-10-20-16/h1-11H,(H,18,19)
InChIKeyRFFDVBHQSHVUIH-UHFFFAOYSA-N
XLogP4.31
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Diphenylfuran
CID 70387
Furaprofen
CID 37801
Benzoic acid, 4-(5-formyl-2-furanyl)-, ethyl ester
CID 608139
4'-(Octyloxy)-[1,1'-biphenyl]-4-carboxylic acid
CID 2802556
3'-Methoxy-biphenyl-3-carboxylic acid
CID 2759550
4-(3-methoxyphenyl)benzoic Acid
CID 2759551
Benzofuran-7-Carboxylic Acid
CID 13307983
4'-Methoxy-biphenyl-3-carboxylic acid
CID 1307667
2'-Methoxy[1,1'-biphenyl]-3-carboxylic acid
CID 2759547
3-(phenoxymethyl)benzoic Acid
CID 3729884
4-(Heptyloxy)-4'-biphenylcarboxylic Acid
CID 4433908
4-(4-Tert-butylphenoxymethyl)benzoic acid
CID 585049

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-yl)phenyl]benzoic acid?
The IUPAC name of 3-[4-(furan-2-yl)phenyl]benzoic acid (CID 168527049) is 3-[4-(furan-2-yl)phenyl]benzoic acid.
What is the SMILES notation for 3-[4-(furan-2-yl)phenyl]benzoic acid?
The canonical SMILES for 3-[4-(furan-2-yl)phenyl]benzoic acid is O=C(O)c1cccc(-c2ccc(-c3ccco3)cc2)c1.
What is the InChIKey of 3-[4-(furan-2-yl)phenyl]benzoic acid?
The InChIKey is RFFDVBHQSHVUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-17(19)15-4-1-3-14(11-15)12-6-8-13(9-7-12)16-5-2-10-20-16/h1-11H,(H,18,19).
What are the key properties of 3-[4-(furan-2-yl)phenyl]benzoic acid?
3-[4-(furan-2-yl)phenyl]benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-yl)phenyl]benzoic acid is sourced from PubChem (CID 168527049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).