6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one

C25H16F2O3 — CID 135016207

IUPAC6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one
SMILESO=C1OCC2=C(c3ccccc3)OC(c3ccc(F)cc3)=C(c3ccc(F)cc3)C12
InChIInChI=1S/C25H16F2O3/c26-18-10-6-15(7-11-18)21-22-20(14-29-25(22)28)23(16-4-2-1-3-5-16)30-24(21)17-8-12-19(27)13-9-17/h1-13,22H,14H2
InChIKeyDRDQARSBKOHIMQ-UHFFFAOYSA-N
MW402.40 g/mol
LogP5.45
Rot. Bonds3

About 6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one

6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one (PubChem CID 135016207) has the molecular formula C25H16F2O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one.

Molecular Properties

Compound Name6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one
PubChem CID135016207
Molecular FormulaC25H16F2O3
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one
SMILESO=C1OCC2=C(c3ccccc3)OC(c3ccc(F)cc3)=C(c3ccc(F)cc3)C12
InChIInChI=1S/C25H16F2O3/c26-18-10-6-15(7-11-18)21-22-20(14-29-25(22)28)23(16-4-2-1-3-5-16)30-24(21)17-8-12-19(27)13-9-17/h1-13,22H,14H2
InChIKeyDRDQARSBKOHIMQ-UHFFFAOYSA-N
XLogP5.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 345736
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CID 13699856
3-Methylidene-5-phenyl-4-(2-phenylethyl)oxolan-2-one
CID 118708711
(4S,5R)-3-methylidene-4,5-diphenyloxolan-2-one
CID 11747058
(4R,5S)-3-methylidene-4,5-diphenyloxolan-2-one
CID 12023500
gamma-(4-Fluorophenyl)-gamma-butyrolactone
CID 103541
3,4,5-Triphenyl-2(3H)-furanone
CID 280434
(1S,3aR,8aR,8bR)-1-(4-fluorophenyl)-5,5,8a-trimethyl-1,3a,6,7,8,8b-hexahydroindeno[1,2-c]furan-3-one
CID 44561724
(4S,5S)-3-methylidene-4,5-diphenyloxolan-2-one
CID 52944250
(4S,5S)-3-methylidene-4-phenyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-one
CID 52944457
(3E,4R,5S)-3-benzylidene-4,5-diphenyloxolan-2-one
CID 122190272
(4R,5R)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
CID 24740266

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one?
The IUPAC name of 6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one (CID 135016207) is 6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one.
What is the SMILES notation for 6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one?
The canonical SMILES for 6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one is O=C1OCC2=C(c3ccccc3)OC(c3ccc(F)cc3)=C(c3ccc(F)cc3)C12.
What is the InChIKey of 6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one?
The InChIKey is DRDQARSBKOHIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2O3/c26-18-10-6-15(7-11-18)21-22-20(14-29-25(22)28)23(16-4-2-1-3-5-16)30-24(21)17-8-12-19(27)13-9-17/h1-13,22H,14H2.
What are the key properties of 6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one?
6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one has a molecular weight of 402.40 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(4-fluorophenyl)-4-phenyl-3,7a-dihydrofuro[3,4-c]pyran-1-one is sourced from PubChem (CID 135016207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).