[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone

C30H43O2P — CID 159876895

IUPAC[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone
SMILESCCCCc1cc(C)c(C(=O)P(CC(C)C)C(=O)c2c(C)cc(CCCC)cc2C)c(C)c1
InChIInChI=1S/C30H43O2P/c1-9-11-13-25-15-21(5)27(22(6)16-25)29(31)33(19-20(3)4)30(32)28-23(7)17-26(14-12-10-2)18-24(28)8/h15-18,20H,9-14,19H2,1-8H3
InChIKeyYYWNWFNOQVLWHJ-UHFFFAOYSA-N
MW466.65 g/mol
LogP8.72
Rot. Bonds12

About [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone

[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone (PubChem CID 159876895) has the molecular formula C30H43O2P and a molecular weight of 466.65 g/mol. Its IUPAC name is [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone
PubChem CID159876895
Molecular FormulaC30H43O2P
Molecular Weight466.65 g/mol
Exact Mass466.30
IUPAC Name[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone
SMILESCCCCc1cc(C)c(C(=O)P(CC(C)C)C(=O)c2c(C)cc(CCCC)cc2C)c(C)c1
InChIInChI=1S/C30H43O2P/c1-9-11-13-25-15-21(5)27(22(6)16-25)29(31)33(19-20(3)4)30(32)28-23(7)17-26(14-12-10-2)18-24(28)8/h15-18,20H,9-14,19H2,1-8H3
InChIKeyYYWNWFNOQVLWHJ-UHFFFAOYSA-N
XLogP8.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.65
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(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
(4-butyl-2,6-dimethylphenyl) acetate
CID 66815406
2-bromo-5-butyl-1,3-dimethylbenzene
CID 67873453
2,6-dimethyl-4-pentylphenol
CID 22625507
N-(4-butyl-2-methylphenyl)-2-methylpropanamide
CID 86731579
2,6-dimethyl-4-octadecylphenol
CID 66619575
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
5-butyl-1,2,3-trimethylbenzene;propan-1-ol;3-(3,4,5-trimethylphenyl)propan-1-ol
CID 158029369
2-(4-butyl-2-methylphenyl)acetic acid
CID 154171970
[(2,6-dimethylbenzoyl)-(2,4-dipentylphenyl)phosphanyl]-(2,6-dimethylphenyl)methanone
CID 174970752
5-butyl-2-[1-(4-butyl-2-hydroxy-6-methylphenyl)butyl]-3-methylphenol
CID 101311642
1,3-dibutyl-5-propan-2-ylbenzene
CID 19812391

Frequently Asked Questions

What is the IUPAC name of [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone?
The IUPAC name of [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone (CID 159876895) is [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone.
What is the SMILES notation for [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone?
The canonical SMILES for [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone is CCCCc1cc(C)c(C(=O)P(CC(C)C)C(=O)c2c(C)cc(CCCC)cc2C)c(C)c1.
What is the InChIKey of [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone?
The InChIKey is YYWNWFNOQVLWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43O2P/c1-9-11-13-25-15-21(5)27(22(6)16-25)29(31)33(19-20(3)4)30(32)28-23(7)17-26(14-12-10-2)18-24(28)8/h15-18,20H,9-14,19H2,1-8H3.
What are the key properties of [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone?
[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone has a molecular weight of 466.65 g/mol, XLogP of 8.72, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone is sourced from PubChem (CID 159876895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).