(4-tert-butylphenyl) dichloro phosphate

C10H13Cl2O4P — CID 141025972

IUPAC(4-tert-butylphenyl) dichloro phosphate
SMILESCC(C)(C)c1ccc(OP(=O)(OCl)OCl)cc1
InChIInChI=1S/C10H13Cl2O4P/c1-10(2,3)8-4-6-9(7-5-8)14-17(13,15-11)16-12/h4-7H,1-3H3
InChIKeyDMJMMYMNZBMYHV-UHFFFAOYSA-N
MW299.09 g/mol
LogP4.81
Rot. Bonds4

About (4-tert-butylphenyl) dichloro phosphate

(4-tert-butylphenyl) dichloro phosphate (PubChem CID 141025972) has the molecular formula C10H13Cl2O4P and a molecular weight of 299.09 g/mol. Its IUPAC name is (4-tert-butylphenyl) dichloro phosphate.

Molecular Properties

Compound Name(4-tert-butylphenyl) dichloro phosphate
PubChem CID141025972
Molecular FormulaC10H13Cl2O4P
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name(4-tert-butylphenyl) dichloro phosphate
SMILESCC(C)(C)c1ccc(OP(=O)(OCl)OCl)cc1
InChIInChI=1S/C10H13Cl2O4P/c1-10(2,3)8-4-6-9(7-5-8)14-17(13,15-11)16-12/h4-7H,1-3H3
InChIKeyDMJMMYMNZBMYHV-UHFFFAOYSA-N
XLogP4.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 54.81
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

1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene
CID 71670386
(4-tert-butylphenoxy)-methylphosphinate
CID 2313159
bis(4-tert-butylphenyl) naphthalen-2-yl phosphate
CID 139980260
[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate
CID 123731391
sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride
CID 174748805
bis(4-tert-butylphenyl) (2,4,6-tribromophenyl) phosphate
CID 70559508
dichloro (4-cyanophenyl) phosphate
CID 177310263
tris[4-(1,1-dihydroxybutyl)phenyl] phosphate
CID 141394170
chloro bis(4-nitrophenyl) phosphate
CID 141011401
azanium (4-tert-butylphenyl) [4-(2-methylbutan-2-yl)phenyl] phosphate
CID 3020874
tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
CID 139911356
[4-[2-[4-bis(2,6-dimethylphenoxy)phosphoryloxyphenyl]propan-2-yl]phenyl] bis(2,6-dimethylphenyl) phosphate;ethane
CID 91386921

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) dichloro phosphate?
The IUPAC name of (4-tert-butylphenyl) dichloro phosphate (CID 141025972) is (4-tert-butylphenyl) dichloro phosphate.
What is the SMILES notation for (4-tert-butylphenyl) dichloro phosphate?
The canonical SMILES for (4-tert-butylphenyl) dichloro phosphate is CC(C)(C)c1ccc(OP(=O)(OCl)OCl)cc1.
What is the InChIKey of (4-tert-butylphenyl) dichloro phosphate?
The InChIKey is DMJMMYMNZBMYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2O4P/c1-10(2,3)8-4-6-9(7-5-8)14-17(13,15-11)16-12/h4-7H,1-3H3.
What are the key properties of (4-tert-butylphenyl) dichloro phosphate?
(4-tert-butylphenyl) dichloro phosphate has a molecular weight of 299.09 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) dichloro phosphate is sourced from PubChem (CID 141025972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).