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

C24H26O3 — CID 54687926

IUPAC3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one
SMILESCC1(CCCc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)=C1O
InChIInChI=1S/C24H26O3/c1-24(16-8-11-17-9-4-2-5-10-17)22(25)21(23(26)27-24)20(19-14-15-19)18-12-6-3-7-13-18/h2-7,9-10,12-13,19-20,25H,8,11,14-16H2,1H3
InChIKeySBXBWANQYFRFSZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.33
Rot. Bonds7

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

3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one (PubChem CID 54687926) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one.

Molecular Properties

Compound Name3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one
PubChem CID54687926
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one
SMILESCC1(CCCc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)=C1O
InChIInChI=1S/C24H26O3/c1-24(16-8-11-17-9-4-2-5-10-17)22(25)21(23(26)27-24)20(19-14-15-19)18-12-6-3-7-13-18/h2-7,9-10,12-13,19-20,25H,8,11,14-16H2,1H3
InChIKeySBXBWANQYFRFSZ-UHFFFAOYSA-N
XLogP5.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.33
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-(3-phenylpropyl)furan-2-one?
The IUPAC name of 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one (CID 54687926) is 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one.
What is the SMILES notation for 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one?
The canonical SMILES for 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one is CC1(CCCc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)=C1O.
What is the InChIKey of 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one?
The InChIKey is SBXBWANQYFRFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-24(16-8-11-17-9-4-2-5-10-17)22(25)21(23(26)27-24)20(19-14-15-19)18-12-6-3-7-13-18/h2-7,9-10,12-13,19-20,25H,8,11,14-16H2,1H3.
What are the key properties of 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one?
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-5-methyl-5-(3-phenylpropyl)furan-2-one has a molecular weight of 362.47 g/mol, XLogP of 5.33, 7 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-(3-phenylpropyl)furan-2-one is sourced from PubChem (CID 54687926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).