3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one

C23H24O3 — CID 54687917

IUPAC3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one
SMILESCC1(CCc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)=C1O
InChIInChI=1S/C23H24O3/c1-23(15-14-16-8-4-2-5-9-16)21(24)20(22(25)26-23)19(18-12-13-18)17-10-6-3-7-11-17/h2-11,18-19,24H,12-15H2,1H3
InChIKeyJKJYEZOWMSSKOW-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.94
Rot. Bonds6

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

3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one (PubChem CID 54687917) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one.

Molecular Properties

Compound Name3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one
PubChem CID54687917
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one
SMILESCC1(CCc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)=C1O
InChIInChI=1S/C23H24O3/c1-23(15-14-16-8-4-2-5-9-16)21(24)20(22(25)26-23)19(18-12-13-18)17-10-6-3-7-11-17/h2-11,18-19,24H,12-15H2,1H3
InChIKeyJKJYEZOWMSSKOW-UHFFFAOYSA-N
XLogP4.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one?
The IUPAC name of 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one (CID 54687917) is 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one.
What is the SMILES notation for 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one?
The canonical SMILES for 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one is CC1(CCc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)=C1O.
What is the InChIKey of 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one?
The InChIKey is JKJYEZOWMSSKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-23(15-14-16-8-4-2-5-9-16)21(24)20(22(25)26-23)19(18-12-13-18)17-10-6-3-7-11-17/h2-11,18-19,24H,12-15H2,1H3.
What are the key properties of 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one?
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one has a molecular weight of 348.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(2-phenylethyl)furan-2-one is sourced from PubChem (CID 54687917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).