(4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone

C17H27O4P — CID 134872284

IUPAC(4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone
SMILESCC(C)OP(=O)(OC(C)C)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27O4P/c1-12(2)20-22(19,21-13(3)4)16(18)14-8-10-15(11-9-14)17(5,6)7/h8-13H,1-7H3
InChIKeyVUACAKGRTMYBCM-UHFFFAOYSA-N
MW326.37 g/mol
LogP5.17
Rot. Bonds6

About (4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone

(4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone (PubChem CID 134872284) has the molecular formula C17H27O4P and a molecular weight of 326.37 g/mol. Its IUPAC name is (4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone
PubChem CID134872284
Molecular FormulaC17H27O4P
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Name(4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone
SMILESCC(C)OP(=O)(OC(C)C)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27O4P/c1-12(2)20-22(19,21-13(3)4)16(18)14-8-10-15(11-9-14)17(5,6)7/h8-13H,1-7H3
InChIKeyVUACAKGRTMYBCM-UHFFFAOYSA-N
XLogP5.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylphenyl)-diphenylphosphorylmethanone
CID 21464702
4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914606
2-bromo-1-(4-tert-butylphenyl)propan-1-one
CID 43144127
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
phosphono 4-tert-butylbenzenecarboperoxoate
CID 162716702
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
CID 172553263
CID 172553263
2-(4-tert-butylphenyl)-2,3-dimethylbutanoyl chloride
CID 117048087

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone?
The IUPAC name of (4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone (CID 134872284) is (4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone.
What is the SMILES notation for (4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone?
The canonical SMILES for (4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone is CC(C)OP(=O)(OC(C)C)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone?
The InChIKey is VUACAKGRTMYBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O4P/c1-12(2)20-22(19,21-13(3)4)16(18)14-8-10-15(11-9-14)17(5,6)7/h8-13H,1-7H3.
What are the key properties of (4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone?
(4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone has a molecular weight of 326.37 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone is sourced from PubChem (CID 134872284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).