3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one

C21H22O3 — CID 54687916

IUPAC3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one
SMILESCCC(C1=C(O)C(CCc2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C21H22O3/c1-2-17(16-11-7-4-8-12-16)19-20(22)18(24-21(19)23)14-13-15-9-5-3-6-10-15/h3-12,17-18,22H,2,13-14H2,1H3
InChIKeyRHFUMMXKWLPNLU-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.55
Rot. Bonds6

About 3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one

3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one (PubChem CID 54687916) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one
PubChem CID54687916
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Name3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one
SMILESCCC(C1=C(O)C(CCc2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C21H22O3/c1-2-17(16-11-7-4-8-12-16)19-20(22)18(24-21(19)23)14-13-15-9-5-3-6-10-15/h3-12,17-18,22H,2,13-14H2,1H3
InChIKeyRHFUMMXKWLPNLU-UHFFFAOYSA-N
XLogP4.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one?
The IUPAC name of 3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one (CID 54687916) is 3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one is CCC(C1=C(O)C(CCc2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one?
The InChIKey is RHFUMMXKWLPNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c1-2-17(16-11-7-4-8-12-16)19-20(22)18(24-21(19)23)14-13-15-9-5-3-6-10-15/h3-12,17-18,22H,2,13-14H2,1H3.
What are the key properties of 3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one?
3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one has a molecular weight of 322.40 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 3-hydroxy-2-(2-phenylethyl)-4-(1-phenylpropyl)-2H-furan-5-one is sourced from PubChem (CID 54687916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).