3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one

C21H20O5 — CID 54720627

IUPAC3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one
SMILESO=c1oc(CC(O)c2ccoc2)cc(O)c1C(c1ccccc1)C1CC1
InChIInChI=1S/C21H20O5/c22-17(15-8-9-25-12-15)10-16-11-18(23)20(21(24)26-16)19(14-6-7-14)13-4-2-1-3-5-13/h1-5,8-9,11-12,14,17,19,22-23H,6-7,10H2
InChIKeyZYPVWRGEQDVWNZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.76
Rot. Bonds6

About 3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one

3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one (PubChem CID 54720627) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one.

Molecular Properties

Compound Name3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one
PubChem CID54720627
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one
SMILESO=c1oc(CC(O)c2ccoc2)cc(O)c1C(c1ccccc1)C1CC1
InChIInChI=1S/C21H20O5/c22-17(15-8-9-25-12-15)10-16-11-18(23)20(21(24)26-16)19(14-6-7-14)13-4-2-1-3-5-13/h1-5,8-9,11-12,14,17,19,22-23H,6-7,10H2
InChIKeyZYPVWRGEQDVWNZ-UHFFFAOYSA-N
XLogP3.76
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
CID 54720553
6-[1-(3-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
CID 54720648
6-[1-(4-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
CID 54720598
N-[3-[cyclopropyl-[4-hydroxy-2-oxo-6-(2-phenylbutyl)pyran-3-yl]methyl]phenyl]-1H-benzimidazole-2-sulfonamide
CID 70079777
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-6-[1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]pyran-2-one
CID 174304564
3-[(3-aminophenyl)-cyclopropylmethyl]-4-hydroxy-6-(1-hydroxypentan-3-yl)pyran-2-one
CID 54711491
1,2-bis(furan-3-yl)ethanol
CID 83172033
3-(1,2-diphenylethyl)-4-hydroxy-6-(2-phenylethyl)pyran-2-one
CID 57299730
1-(furan-3-yl)-3-phenylbutan-1-ol
CID 63948352
N-[3-[[6-(benzenesulfonamidomethyl)-4-hydroxy-2-oxopyran-3-yl]-cyclopropylmethyl]phenyl]-2,5-dichlorobenzenesulfonamide;ethane
CID 70106514
3-[cyclopropyl-(5-methylthiophen-2-yl)methyl]-4-hydroxy-6-(1-phenylbutan-2-yl)pyran-2-one
CID 54729683
(4-ethylcyclohexyl)-(furan-3-yl)methanol
CID 64749944

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one?
The IUPAC name of 3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one (CID 54720627) is 3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one.
What is the SMILES notation for 3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one?
The canonical SMILES for 3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one is O=c1oc(CC(O)c2ccoc2)cc(O)c1C(c1ccccc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one?
The InChIKey is ZYPVWRGEQDVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c22-17(15-8-9-25-12-15)10-16-11-18(23)20(21(24)26-16)19(14-6-7-14)13-4-2-1-3-5-13/h1-5,8-9,11-12,14,17,19,22-23H,6-7,10H2.
What are the key properties of 3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one?
3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one has a molecular weight of 352.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(phenyl)methyl]-6-[2-(furan-3-yl)-2-hydroxyethyl]-4-hydroxypyran-2-one is sourced from PubChem (CID 54720627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).