4-[4-(furan-2-yl)phenyl]butanoic acid

C14H14O3 — CID 23005257

IUPAC4-[4-(furan-2-yl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H14O3/c15-14(16)5-1-3-11-6-8-12(9-7-11)13-4-2-10-17-13/h2,4,6-10H,1,3,5H2,(H,15,16)
InChIKeyCLTFTYJPOBVVRQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.35
Rot. Bonds5

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

4-[4-(furan-2-yl)phenyl]butanoic acid (PubChem CID 23005257) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(furan-2-yl)phenyl]butanoic acid
PubChem CID23005257
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name4-[4-(furan-2-yl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H14O3/c15-14(16)5-1-3-11-6-8-12(9-7-11)13-4-2-10-17-13/h2,4,6-10H,1,3,5H2,(H,15,16)
InChIKeyCLTFTYJPOBVVRQ-UHFFFAOYSA-N
XLogP3.35
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(furan-2-yl)phenyl]ethanol
CID 168524630
4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid
CID 23005243
ethyl 3-[4-(furan-2-yl)phenyl]propanoate
CID 168526212
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
4-(4-diphenylphosphanylphenyl)butanoic acid
CID 19809583
methyl 2-[4-(furan-2-yl)phenyl]acetate
CID 168524506
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-(4-iodophenyl)butanoic acid
CID 4645427
[4-(furan-2-yl)phenyl]-phenylmethanone
CID 14657656
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261
4-[2-[[4-[[4-(furan-2-yl)phenyl]methyl]phenoxy]methyl]pyrrolidin-1-yl]butanoic acid;hydrochloride
CID 69000548
15-phenylpentadecanoic acid
CID 2737151

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)phenyl]butanoic acid?
The IUPAC name of 4-[4-(furan-2-yl)phenyl]butanoic acid (CID 23005257) is 4-[4-(furan-2-yl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(furan-2-yl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(furan-2-yl)phenyl]butanoic acid is O=C(O)CCCc1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-[4-(furan-2-yl)phenyl]butanoic acid?
The InChIKey is CLTFTYJPOBVVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c15-14(16)5-1-3-11-6-8-12(9-7-11)13-4-2-10-17-13/h2,4,6-10H,1,3,5H2,(H,15,16).
What are the key properties of 4-[4-(furan-2-yl)phenyl]butanoic acid?
4-[4-(furan-2-yl)phenyl]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)phenyl]butanoic acid is sourced from PubChem (CID 23005257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).