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

C23H24O3 — CID 54687941

IUPAC4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one
SMILESCCC(c1ccccc1)C1OC(=O)C(C(c2ccccc2)C2CC2)=C1O
InChIInChI=1S/C23H24O3/c1-2-18(15-9-5-3-6-10-15)22-21(24)20(23(25)26-22)19(17-13-14-17)16-11-7-4-8-12-16/h3-12,17-19,22,24H,2,13-14H2,1H3
InChIKeyGXPRVDWEAQOQIN-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.11
Rot. Bonds6

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

4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one (PubChem CID 54687941) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one
PubChem CID54687941
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one
SMILESCCC(c1ccccc1)C1OC(=O)C(C(c2ccccc2)C2CC2)=C1O
InChIInChI=1S/C23H24O3/c1-2-18(15-9-5-3-6-10-15)22-21(24)20(23(25)26-22)19(17-13-14-17)16-11-7-4-8-12-16/h3-12,17-19,22,24H,2,13-14H2,1H3
InChIKeyGXPRVDWEAQOQIN-UHFFFAOYSA-N
XLogP5.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one?
The IUPAC name of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one (CID 54687941) is 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one.
What is the SMILES notation for 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one?
The canonical SMILES for 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one is CCC(c1ccccc1)C1OC(=O)C(C(c2ccccc2)C2CC2)=C1O.
What is the InChIKey of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one?
The InChIKey is GXPRVDWEAQOQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-2-18(15-9-5-3-6-10-15)22-21(24)20(23(25)26-22)19(17-13-14-17)16-11-7-4-8-12-16/h3-12,17-19,22,24H,2,13-14H2,1H3.
What are the key properties of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one?
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one has a molecular weight of 348.44 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one is sourced from PubChem (CID 54687941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).