(2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one

C19H14O4 — CID 92856141

IUPAC(2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one
SMILESO=C(/C=C\c1ccccc1)C1=C(O)C(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C19H14O4/c20-15(12-11-13-7-3-1-4-8-13)16-17(21)19(22)23-18(16)14-9-5-2-6-10-14/h1-12,18,21H/b12-11-/t18-/m0/s1
InChIKeyBJHGFNLSROBBMY-JYBLJSLWSA-N
MW306.32 g/mol
LogP3.38
Rot. Bonds4

About (2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one

(2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one (PubChem CID 92856141) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one
PubChem CID92856141
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name(2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one
SMILESO=C(/C=C\c1ccccc1)C1=C(O)C(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C19H14O4/c20-15(12-11-13-7-3-1-4-8-13)16-17(21)19(22)23-18(16)14-9-5-2-6-10-14/h1-12,18,21H/b12-11-/t18-/m0/s1
InChIKeyBJHGFNLSROBBMY-JYBLJSLWSA-N
XLogP3.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one?
The IUPAC name of (2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one (CID 92856141) is (2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one?
The canonical SMILES for (2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one is O=C(/C=C\c1ccccc1)C1=C(O)C(=O)O[C@H]1c1ccccc1.
What is the InChIKey of (2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one?
The InChIKey is BJHGFNLSROBBMY-JYBLJSLWSA-N. The full InChI is InChI=1S/C19H14O4/c20-15(12-11-13-7-3-1-4-8-13)16-17(21)19(22)23-18(16)14-9-5-2-6-10-14/h1-12,18,21H/b12-11-/t18-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one?
(2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one has a molecular weight of 306.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-phenyl-3-[(Z)-3-phenylprop-2-enoyl]-2H-furan-5-one is sourced from PubChem (CID 92856141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).