1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one

C17H27OP — CID 174463873

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=O)C(P)C(C)C
InChIInChI=1S/C17H27OP/c1-10(2)16(19)15(18)14-11(3)8-13(9-12(14)4)17(5,6)7/h8-10,16H,19H2,1-7H3
InChIKeyRULZIFGNYJNAHE-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.68
Rot. Bonds3

About 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one

1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one (PubChem CID 174463873) has the molecular formula C17H27OP and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one
PubChem CID174463873
Molecular FormulaC17H27OP
Molecular Weight278.38 g/mol
Exact Mass278.18
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=O)C(P)C(C)C
InChIInChI=1S/C17H27OP/c1-10(2)16(19)15(18)14-11(3)8-13(9-12(14)4)17(5,6)7/h8-10,16H,19H2,1-7H3
InChIKeyRULZIFGNYJNAHE-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid
CID 117041855
4-tert-butyl-2,6-dimethylbenzoyl cyanide
CID 116918980
2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 10082173
1-(4-tert-butyl-2,6-dimethylphenyl)-2-methylsulfanylethanone
CID 116830113
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid
CID 115170748
2,4,4-trimethylpentyl 3-(4-tert-butyl-2,6-dimethylphenyl)-3-oxo-2-phenylpropanoate
CID 18515291
(4-tert-butyl-2,6-dimethylphenyl)-(oxiran-2-yl)methanone
CID 116826456
1,2-bis(2,4,6-trimethylphenyl)propan-1-one
CID 14636852
CID 70015545
CID 70015545
2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one
CID 82493916
N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 17168159

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one (CID 174463873) is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one is Cc1cc(C(C)(C)C)cc(C)c1C(=O)C(P)C(C)C.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one?
The InChIKey is RULZIFGNYJNAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27OP/c1-10(2)16(19)15(18)14-11(3)8-13(9-12(14)4)17(5,6)7/h8-10,16H,19H2,1-7H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one?
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one has a molecular weight of 278.38 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one is sourced from PubChem (CID 174463873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).