2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one

C26H24O3 — CID 102397437

IUPAC2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one
SMILESCC(C)COC1(c2ccccc2)OC(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C26H24O3/c1-19(2)18-28-26(22-16-10-5-11-17-22)25(27)23(20-12-6-3-7-13-20)24(29-26)21-14-8-4-9-15-21/h3-17,19H,18H2,1-2H3
InChIKeyAVQLPSOSSVEFLG-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.68
Rot. Bonds6

About 2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one

2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one (PubChem CID 102397437) has the molecular formula C26H24O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one.

Molecular Properties

Compound Name2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one
PubChem CID102397437
Molecular FormulaC26H24O3
Molecular Weight384.48 g/mol
Exact Mass384.17
IUPAC Name2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one
SMILESCC(C)COC1(c2ccccc2)OC(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C26H24O3/c1-19(2)18-28-26(22-16-10-5-11-17-22)25(27)23(20-12-6-3-7-13-20)24(29-26)21-14-8-4-9-15-21/h3-17,19H,18H2,1-2H3
InChIKeyAVQLPSOSSVEFLG-UHFFFAOYSA-N
XLogP5.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.68
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

(3-oxo-2,4,5-triphenylfuran-2-yl) acetate
CID 25194923
2-tert-butyl-2-methyl-5,6-diphenyl-1,3-dioxin-4-one
CID 171987741
3-(2-methylpropoxy)-3-phenyloxetane
CID 175289213
2-methoxy-1,2,4,5-tetraphenylpyrrol-3-one
CID 13129379
4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide
CID 142769907
[4-(5,5-diethyl-4-oxo-3-phenylfuran-2-yl)phenyl]methanesulfinate
CID 174372305
4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one
CID 59354781
2,2-dimethoxy-4,5-diphenylcyclopent-4-ene-1,3-dione
CID 135004291
3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan
CID 15650118
(3R,6S)-3,6-bis(4-methylphenoxy)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 39353102
1,1,8-trimethyl-3,4-diphenylisochromene
CID 122214732
3-methyl-4-phenyl-2H-furan-5-one
CID 576159

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one?
The IUPAC name of 2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one (CID 102397437) is 2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one.
What is the SMILES notation for 2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one?
The canonical SMILES for 2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one is CC(C)COC1(c2ccccc2)OC(c2ccccc2)=C(c2ccccc2)C1=O.
What is the InChIKey of 2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one?
The InChIKey is AVQLPSOSSVEFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O3/c1-19(2)18-28-26(22-16-10-5-11-17-22)25(27)23(20-12-6-3-7-13-20)24(29-26)21-14-8-4-9-15-21/h3-17,19H,18H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one?
2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one has a molecular weight of 384.48 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-2,4,5-triphenylfuran-3-one is sourced from PubChem (CID 102397437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).