4,4,4-triphenylbutanoyl chloride

C22H19ClO — CID 15254182

IUPAC4,4,4-triphenylbutanoyl chloride
SMILESO=C(Cl)CCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19ClO/c23-21(24)16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyCTKUNLCRXZUNFS-UHFFFAOYSA-N
MW334.85 g/mol
LogP5.57
Rot. Bonds6

About 4,4,4-triphenylbutanoyl chloride

4,4,4-triphenylbutanoyl chloride (PubChem CID 15254182) has the molecular formula C22H19ClO and a molecular weight of 334.85 g/mol. Its IUPAC name is 4,4,4-triphenylbutanoyl chloride.

Molecular Properties

Compound Name4,4,4-triphenylbutanoyl chloride
PubChem CID15254182
Molecular FormulaC22H19ClO
Molecular Weight334.85 g/mol
Exact Mass334.11
IUPAC Name4,4,4-triphenylbutanoyl chloride
SMILESO=C(Cl)CCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19ClO/c23-21(24)16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyCTKUNLCRXZUNFS-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

phosphane;6,6,6-triphenylhexanoic acid
CID 175595654
carbonic acid;4,4,4-triphenylbutylphosphane
CID 173313082
2-chloro-2-phenylbutanoyl chloride
CID 174602040
methylidene(8,8,8-triphenyloctanoyl)phosphanium
CID 154191945
3,3,3-triphenylpropan-1-amine
CID 10125450
2,2-dibromo-2-phenylacetyl chloride
CID 56990356
2-carbonochloridoyl-2-phenylbutanoic acid
CID 82254336
4-oxo-4-phenylbutanoyl chloride
CID 10932389
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
2,2,2-triphenylethylsulfanium bromide
CID 172851267
2-hydroxy-2-phenylhexan-3-one
CID 3696245
chlorobenzene;pentanoyl chloride
CID 174976374

Frequently Asked Questions

What is the IUPAC name of 4,4,4-triphenylbutanoyl chloride?
The IUPAC name of 4,4,4-triphenylbutanoyl chloride (CID 15254182) is 4,4,4-triphenylbutanoyl chloride.
What is the SMILES notation for 4,4,4-triphenylbutanoyl chloride?
The canonical SMILES for 4,4,4-triphenylbutanoyl chloride is O=C(Cl)CCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4,4-triphenylbutanoyl chloride?
The InChIKey is CTKUNLCRXZUNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO/c23-21(24)16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 4,4,4-triphenylbutanoyl chloride?
4,4,4-triphenylbutanoyl chloride has a molecular weight of 334.85 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-triphenylbutanoyl chloride is sourced from PubChem (CID 15254182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).