1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one

C15H14O3 — CID 102027325

IUPAC1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one
SMILESC=C(c1ccccc1)C(O)CC(=O)c1ccco1
InChIInChI=1S/C15H14O3/c1-11(12-6-3-2-4-7-12)13(16)10-14(17)15-8-5-9-18-15/h2-9,13,16H,1,10H2
InChIKeyGBPIMIFNFSPXSS-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.93
Rot. Bonds5

About 1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one

1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one (PubChem CID 102027325) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one
PubChem CID102027325
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one
SMILESC=C(c1ccccc1)C(O)CC(=O)c1ccco1
InChIInChI=1S/C15H14O3/c1-11(12-6-3-2-4-7-12)13(16)10-14(17)15-8-5-9-18-15/h2-9,13,16H,1,10H2
InChIKeyGBPIMIFNFSPXSS-UHFFFAOYSA-N
XLogP2.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one
CID 102027328
furan-2-carboxylic acid;gold
CID 174701575
3-(furan-2-yl)but-3-enoic acid
CID 117268805
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
2-phenylhepta-1,6-dien-3-ol
CID 13086296
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261
2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid
CID 12615241
1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one
CID 70926976
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311
(2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid
CID 124925981

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one?
The IUPAC name of 1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one (CID 102027325) is 1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one is C=C(c1ccccc1)C(O)CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one?
The InChIKey is GBPIMIFNFSPXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11(12-6-3-2-4-7-12)13(16)10-14(17)15-8-5-9-18-15/h2-9,13,16H,1,10H2.
What are the key properties of 1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one?
1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one has a molecular weight of 242.27 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one is sourced from PubChem (CID 102027325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).