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

C25H28O3 — CID 54687927

IUPAC3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one
SMILESCCC1(CCCc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)=C1O
InChIInChI=1S/C25H28O3/c1-2-25(17-9-12-18-10-5-3-6-11-18)23(26)22(24(27)28-25)21(20-15-16-20)19-13-7-4-8-14-19/h3-8,10-11,13-14,20-21,26H,2,9,12,15-17H2,1H3
InChIKeyZRLCSFTXZMFOFM-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.72
Rot. Bonds8

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

3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one (PubChem CID 54687927) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one.

Molecular Properties

Compound Name3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one
PubChem CID54687927
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one
SMILESCCC1(CCCc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)=C1O
InChIInChI=1S/C25H28O3/c1-2-25(17-9-12-18-10-5-3-6-11-18)23(26)22(24(27)28-25)21(20-15-16-20)19-13-7-4-8-14-19/h3-8,10-11,13-14,20-21,26H,2,9,12,15-17H2,1H3
InChIKeyZRLCSFTXZMFOFM-UHFFFAOYSA-N
XLogP5.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Vulpinic Acid
CID 54690323
U-96988
CID 54686718
Methyl 2-(3,5-dioxo-4-phenyl-2-furylidene)-2-phenylacetate
CID 54699186
5,6,7,8,9,10-Hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[B]pyran-2-one
CID 54685311
(alphaE)-alpha-(3-Hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)benzeneacetic acid
CID 54682513
6,7,8,9-Tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[B]pyran-2-one
CID 54708746
Hhpp-cpo
CID 54684772
4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)-2H-pyran-2-one
CID 54688880
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688881
4-hydroxy-3-(1-phenylbutyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688882
4-hydroxy-3-(2-methyl-1-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688883
3-(diphenylmethyl)-4-hydroxy-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688884

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one?
The IUPAC name of 3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one (CID 54687927) is 3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one.
What is the SMILES notation for 3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one?
The canonical SMILES for 3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one is CCC1(CCCc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)=C1O.
What is the InChIKey of 3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one?
The InChIKey is ZRLCSFTXZMFOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3/c1-2-25(17-9-12-18-10-5-3-6-11-18)23(26)22(24(27)28-25)21(20-15-16-20)19-13-7-4-8-14-19/h3-8,10-11,13-14,20-21,26H,2,9,12,15-17H2,1H3.
What are the key properties of 3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one?
3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one has a molecular weight of 376.50 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(phenyl)methyl]-5-ethyl-4-hydroxy-5-(3-phenylpropyl)furan-2-one is sourced from PubChem (CID 54687927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).