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

C22H22O3 — CID 54687905

IUPAC4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one
SMILESO=C1OC(CCc2ccccc2)C(O)=C1C(c1ccccc1)C1CC1
InChIInChI=1S/C22H22O3/c23-21-18(14-11-15-7-3-1-4-8-15)25-22(24)20(21)19(17-12-13-17)16-9-5-2-6-10-16/h1-10,17-19,23H,11-14H2
InChIKeyYDQVYISPCGRVJG-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.55
Rot. Bonds6

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

4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one (PubChem CID 54687905) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one
PubChem CID54687905
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one
SMILESO=C1OC(CCc2ccccc2)C(O)=C1C(c1ccccc1)C1CC1
InChIInChI=1S/C22H22O3/c23-21-18(14-11-15-7-3-1-4-8-15)25-22(24)20(21)19(17-12-13-17)16-9-5-2-6-10-16/h1-10,17-19,23H,11-14H2
InChIKeyYDQVYISPCGRVJG-UHFFFAOYSA-N
XLogP4.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one?
The IUPAC name of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one (CID 54687905) is 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one.
What is the SMILES notation for 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one?
The canonical SMILES for 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one is O=C1OC(CCc2ccccc2)C(O)=C1C(c1ccccc1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one?
The InChIKey is YDQVYISPCGRVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c23-21-18(14-11-15-7-3-1-4-8-15)25-22(24)20(21)19(17-12-13-17)16-9-5-2-6-10-16/h1-10,17-19,23H,11-14H2.
What are the key properties of 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one?
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one has a molecular weight of 334.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(2-phenylethyl)-2H-furan-5-one is sourced from PubChem (CID 54687905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).