4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride

C23H27ClO2 — CID 15835314

IUPAC4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride
SMILESCC(C)c1cc(C(C)C)c(C(=O)c2ccc(C(=O)Cl)cc2)c(C(C)C)c1
InChIInChI=1S/C23H27ClO2/c1-13(2)18-11-19(14(3)4)21(20(12-18)15(5)6)22(25)16-7-9-17(10-8-16)23(24)26/h7-15H,1-6H3
InChIKeyPELZGVBENCAHGF-UHFFFAOYSA-N
MW370.92 g/mol
LogP6.67
Rot. Bonds6

About 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride

4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride (PubChem CID 15835314) has the molecular formula C23H27ClO2 and a molecular weight of 370.92 g/mol. Its IUPAC name is 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride.

Molecular Properties

Compound Name4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride
PubChem CID15835314
Molecular FormulaC23H27ClO2
Molecular Weight370.92 g/mol
Exact Mass370.17
IUPAC Name4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride
SMILESCC(C)c1cc(C(C)C)c(C(=O)c2ccc(C(=O)Cl)cc2)c(C(C)C)c1
InChIInChI=1S/C23H27ClO2/c1-13(2)18-11-19(14(3)4)21(20(12-18)15(5)6)22(25)16-7-9-17(10-8-16)23(24)26/h7-15H,1-6H3
InChIKeyPELZGVBENCAHGF-UHFFFAOYSA-N
XLogP6.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.92
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-ylbenzene-1,4-dicarbonyl chloride
CID 139767671
[2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone
CID 63492494
lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone
CID 173244480
4-(1-fluoroethyl)benzoyl chloride
CID 83854431
[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442
methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate
CID 71377628
lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone
CID 174463953
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
3-bromo-5-propan-2-ylbenzoyl chloride;1,3-dibromo-5-propan-2-ylbenzene
CID 160659655
4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride
CID 88641482
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone
CID 22770095

Frequently Asked Questions

What is the IUPAC name of 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride?
The IUPAC name of 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride (CID 15835314) is 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride.
What is the SMILES notation for 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride?
The canonical SMILES for 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride is CC(C)c1cc(C(C)C)c(C(=O)c2ccc(C(=O)Cl)cc2)c(C(C)C)c1.
What is the InChIKey of 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride?
The InChIKey is PELZGVBENCAHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClO2/c1-13(2)18-11-19(14(3)4)21(20(12-18)15(5)6)22(25)16-7-9-17(10-8-16)23(24)26/h7-15H,1-6H3.
What are the key properties of 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride?
4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride has a molecular weight of 370.92 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride is sourced from PubChem (CID 15835314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).