4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one

C23H22O4 — CID 54691192

IUPAC4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one
SMILESO=C1OC(C(O)/C=C/c2ccccc2)C(O)=C1C(c1ccccc1)C1CC1
InChIInChI=1S/C23H22O4/c24-18(14-11-15-7-3-1-4-8-15)22-21(25)20(23(26)27-22)19(17-12-13-17)16-9-5-2-6-10-16/h1-11,14,17-19,22,24-25H,12-13H2/b14-11+
InChIKeyWHUWYUXQAVTLCG-SDNWHVSQSA-N
MW362.43 g/mol
LogP3.99
Rot. Bonds6

About 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one

4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one (PubChem CID 54691192) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one
PubChem CID54691192
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one
SMILESO=C1OC(C(O)/C=C/c2ccccc2)C(O)=C1C(c1ccccc1)C1CC1
InChIInChI=1S/C23H22O4/c24-18(14-11-15-7-3-1-4-8-15)22-21(25)20(23(26)27-22)19(17-12-13-17)16-9-5-2-6-10-16/h1-11,14,17-19,22,24-25H,12-13H2/b14-11+
InChIKeyWHUWYUXQAVTLCG-SDNWHVSQSA-N
XLogP3.99
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one?
The IUPAC name of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one (CID 54691192) is 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one.
What is the SMILES notation for 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one?
The canonical SMILES for 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one is O=C1OC(C(O)/C=C/c2ccccc2)C(O)=C1C(c1ccccc1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one?
The InChIKey is WHUWYUXQAVTLCG-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H22O4/c24-18(14-11-15-7-3-1-4-8-15)22-21(25)20(23(26)27-22)19(17-12-13-17)16-9-5-2-6-10-16/h1-11,14,17-19,22,24-25H,12-13H2/b14-11+.
What are the key properties of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one?
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one has a molecular weight of 362.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one is sourced from PubChem (CID 54691192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).