2-butoxy-1,2,3-triphenylpropan-1-one

C25H26O2 — CID 154411590

IUPAC2-butoxy-1,2,3-triphenylpropan-1-one
SMILESCCCCOC(Cc1ccccc1)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O2/c1-2-3-19-27-25(23-17-11-6-12-18-23,20-21-13-7-4-8-14-21)24(26)22-15-9-5-10-16-22/h4-18H,2-3,19-20H2,1H3
InChIKeyQBOPIAOEFXLGCI-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.82
Rot. Bonds9

About 2-butoxy-1,2,3-triphenylpropan-1-one

2-butoxy-1,2,3-triphenylpropan-1-one (PubChem CID 154411590) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-butoxy-1,2,3-triphenylpropan-1-one.

Molecular Properties

Compound Name2-butoxy-1,2,3-triphenylpropan-1-one
PubChem CID154411590
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name2-butoxy-1,2,3-triphenylpropan-1-one
SMILESCCCCOC(Cc1ccccc1)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O2/c1-2-3-19-27-25(23-17-11-6-12-18-23,20-21-13-7-4-8-14-21)24(26)22-15-9-5-10-16-22/h4-18H,2-3,19-20H2,1H3
InChIKeyQBOPIAOEFXLGCI-UHFFFAOYSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one
CID 67441475
1-butoxybutane;2-hydroxy-1,2,3-triphenylpropan-1-one
CID 70616091
4-hexoxy-5-oxo-4,5-diphenylpentanoic acid
CID 154411602
2-(2-aminoethoxy)-1,2-diphenylpentan-1-one
CID 67632369
(111C)butyl benzoate
CID 11994383
(3-hydroxy-1-oxo-1,2-diphenylpropan-2-yl) decane-1-sulfonate
CID 87118727
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;methane
CID 174523775
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
butyl 2-benzyl-2-butylhexanoate
CID 57035745
(3-butoxy-2-methyl-3-phenylbutan-2-yl) hydrogen carbonate
CID 90300527

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,2,3-triphenylpropan-1-one?
The IUPAC name of 2-butoxy-1,2,3-triphenylpropan-1-one (CID 154411590) is 2-butoxy-1,2,3-triphenylpropan-1-one.
What is the SMILES notation for 2-butoxy-1,2,3-triphenylpropan-1-one?
The canonical SMILES for 2-butoxy-1,2,3-triphenylpropan-1-one is CCCCOC(Cc1ccccc1)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-butoxy-1,2,3-triphenylpropan-1-one?
The InChIKey is QBOPIAOEFXLGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-2-3-19-27-25(23-17-11-6-12-18-23,20-21-13-7-4-8-14-21)24(26)22-15-9-5-10-16-22/h4-18H,2-3,19-20H2,1H3.
What are the key properties of 2-butoxy-1,2,3-triphenylpropan-1-one?
2-butoxy-1,2,3-triphenylpropan-1-one has a molecular weight of 358.48 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,2,3-triphenylpropan-1-one is sourced from PubChem (CID 154411590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).