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

C23H24O4 — CID 54687909

IUPAC4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one
SMILESO=C1OC(C(O)CCc2ccccc2)C(O)=C1C(c1ccccc1)C1CC1
InChIInChI=1S/C23H24O4/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/h1-10,17-19,22,24-25H,11-14H2
InChIKeyJHIFIUXVEYPGAE-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.91
Rot. Bonds7

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

4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one (PubChem CID 54687909) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one
PubChem CID54687909
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one
SMILESO=C1OC(C(O)CCc2ccccc2)C(O)=C1C(c1ccccc1)C1CC1
InChIInChI=1S/C23H24O4/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/h1-10,17-19,22,24-25H,11-14H2
InChIKeyJHIFIUXVEYPGAE-UHFFFAOYSA-N
XLogP3.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate
CID 54687944
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one
CID 54687941
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]-2H-furan-5-one
CID 54691192
6-(1-chloropentan-3-yl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2,5-dione
CID 70121398
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-9-(methoxymethyl)-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyran-2-one
CID 54691152
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
9-benzyl-3-[cyclopropyl(phenyl)methyl]-4-hydroxy-7,8,9,9a-tetrahydro-6H-cyclohepta[b]pyran-2-one
CID 139692352
(4S,5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10587635
3-[cyclopropyl(phenyl)methyl]-6-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)butan-2-yl]-4-hydroxypyran-2,5-dione
CID 70122519
trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one
CID 101184919
5-(1,3-diphenylpropyl)-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one
CID 54720589
cis-(2S,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclohexan-1-one
CID 101184924

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one?
The IUPAC name of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one (CID 54687909) is 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one.
What is the SMILES notation for 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one?
The canonical SMILES for 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one is O=C1OC(C(O)CCc2ccccc2)C(O)=C1C(c1ccccc1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one?
The InChIKey is JHIFIUXVEYPGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/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/h1-10,17-19,22,24-25H,11-14H2.
What are the key properties of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one?
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one has a molecular weight of 364.44 g/mol, XLogP of 3.91, 7 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-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one is sourced from PubChem (CID 54687909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).