(4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one

C21H18O3 — CID 102593358

IUPAC(4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one
SMILESO=C1C[C@@H](c2ccco2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C21H18O3/c22-19-14-17(18-12-7-13-23-18)20(15-8-3-1-4-9-15)21(24-19)16-10-5-2-6-11-16/h1-13,17,20-21H,14H2/t17-,20-,21-/m0/s1
InChIKeyOMADXDDRCTYUIP-YYWHXJBOSA-N
MW318.37 g/mol
LogP4.84
Rot. Bonds3

About (4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one

(4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one (PubChem CID 102593358) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one.

Molecular Properties

Compound Name(4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one
PubChem CID102593358
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one
SMILESO=C1C[C@@H](c2ccco2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C21H18O3/c22-19-14-17(18-12-7-13-23-18)20(15-8-3-1-4-9-15)21(24-19)16-10-5-2-6-11-16/h1-13,17,20-21H,14H2/t17-,20-,21-/m0/s1
InChIKeyOMADXDDRCTYUIP-YYWHXJBOSA-N
XLogP4.84
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-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

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one?
The IUPAC name of (4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one (CID 102593358) is (4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one.
What is the SMILES notation for (4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one?
The canonical SMILES for (4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one is O=C1C[C@@H](c2ccco2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of (4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one?
The InChIKey is OMADXDDRCTYUIP-YYWHXJBOSA-N. The full InChI is InChI=1S/C21H18O3/c22-19-14-17(18-12-7-13-23-18)20(15-8-3-1-4-9-15)21(24-19)16-10-5-2-6-11-16/h1-13,17,20-21H,14H2/t17-,20-,21-/m0/s1.
What are the key properties of (4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one?
(4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one has a molecular weight of 318.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one is sourced from PubChem (CID 102593358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).