[butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone

C28H39O3P — CID 22183425

IUPAC[butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone
SMILESCCCCP(=O)(C(=O)c1c(C)cc(C(C)(C)C)cc1C)C(=O)c1c(CC)cccc1CC
InChIInChI=1S/C28H39O3P/c1-9-12-16-32(31,27(30)25-21(10-2)14-13-15-22(25)11-3)26(29)24-19(4)17-23(18-20(24)5)28(6,7)8/h13-15,17-18H,9-12,16H2,1-8H3
InChIKeyHTLJBYXDUWEJRW-UHFFFAOYSA-N
MW454.59 g/mol
LogP7.87
Rot. Bonds9

About [butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone

[butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone (PubChem CID 22183425) has the molecular formula C28H39O3P and a molecular weight of 454.59 g/mol. Its IUPAC name is [butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone
PubChem CID22183425
Molecular FormulaC28H39O3P
Molecular Weight454.59 g/mol
Exact Mass454.26
IUPAC Name[butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone
SMILESCCCCP(=O)(C(=O)c1c(C)cc(C(C)(C)C)cc1C)C(=O)c1c(CC)cccc1CC
InChIInChI=1S/C28H39O3P/c1-9-12-16-32(31,27(30)25-21(10-2)14-13-15-22(25)11-3)26(29)24-19(4)17-23(18-20(24)5)28(6,7)8/h13-15,17-18H,9-12,16H2,1-8H3
InChIKeyHTLJBYXDUWEJRW-UHFFFAOYSA-N
XLogP7.87
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butyl-2,6-dimethylphenyl)-[heptyl(phenyl)phosphoryl]methanone
CID 18514166
(4-tert-butyl-2,6-dimethylphenyl)-[ethyl(phenyl)phosphoryl]methanone
CID 18513883
[butyl(pentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183541
2-bis(2,6-diethylbenzoyl)phosphoryl-1,3-bis(2,6-diethylphenyl)-2-pentylpropane-1,3-dione
CID 139816196
[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone
CID 159876894
(2,6-dimethylphenyl)-[dodecyl(phenyl)phosphoryl]methanone
CID 18514413
[(2,6-dimethoxybenzoyl)-octylphosphoryl]-phenylmethanone
CID 175778969
(2-ethyl-6-hydroxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 157171330
(4-tert-butyl-2,6-dimethylphenyl)-[cyclohexyl-(2,6-dichlorobenzoyl)phosphoryl]methanone
CID 22183971
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
1-(2,6-diethylphenyl)ethanone
CID 14939611
[3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 67952431

Frequently Asked Questions

What is the IUPAC name of [butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone?
The IUPAC name of [butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone (CID 22183425) is [butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone.
What is the SMILES notation for [butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone?
The canonical SMILES for [butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone is CCCCP(=O)(C(=O)c1c(C)cc(C(C)(C)C)cc1C)C(=O)c1c(CC)cccc1CC.
What is the InChIKey of [butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone?
The InChIKey is HTLJBYXDUWEJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39O3P/c1-9-12-16-32(31,27(30)25-21(10-2)14-13-15-22(25)11-3)26(29)24-19(4)17-23(18-20(24)5)28(6,7)8/h13-15,17-18H,9-12,16H2,1-8H3.
What are the key properties of [butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone?
[butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone has a molecular weight of 454.59 g/mol, XLogP of 7.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone is sourced from PubChem (CID 22183425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).