1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene

C11H16ClO2P — CID 71670386

IUPAC1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene
SMILESCC(C)(C)c1ccc(OP(C)(=O)Cl)cc1
InChIInChI=1S/C11H16ClO2P/c1-11(2,3)9-5-7-10(8-6-9)14-15(4,12)13/h5-8H,1-4H3
InChIKeyBSVJNYDXYNGLFQ-UHFFFAOYSA-N
MW246.67 g/mol
LogP4.42
Rot. Bonds2

About 1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene

1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene (PubChem CID 71670386) has the molecular formula C11H16ClO2P and a molecular weight of 246.67 g/mol. Its IUPAC name is 1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene
PubChem CID71670386
Molecular FormulaC11H16ClO2P
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene
SMILESCC(C)(C)c1ccc(OP(C)(=O)Cl)cc1
InChIInChI=1S/C11H16ClO2P/c1-11(2,3)9-5-7-10(8-6-9)14-15(4,12)13/h5-8H,1-4H3
InChIKeyBSVJNYDXYNGLFQ-UHFFFAOYSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 54.42
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-tert-butylphenoxy)-methylphosphinate
CID 2313159
sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride
CID 174748805
(4-tert-butylphenyl) dichloro phosphate
CID 141025972
1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
CID 71670381
bis(4-tert-butylphenyl) naphthalen-2-yl phosphate
CID 139980260
bis[4-(trichloromethyl)phenyl] hydrogen phosphate
CID 87933742
azanium (4-tert-butylphenyl) [4-(2-methylbutan-2-yl)phenyl] phosphate
CID 3020874
[4-[2-[4-[hydroxy-(4-methylphenoxy)phosphoryl]oxyphenyl]propan-2-yl]phenyl] (4-methylphenyl) hydrogen phosphate
CID 23106977
[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate
CID 123731391
bis(4-tert-butylphenyl) (2,4,6-tribromophenyl) phosphate
CID 70559508
1-[2-[4-[tert-butyl(methyl)phosphoryl]oxyphenyl]propan-2-yl]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 69177598
bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
CID 11327235

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene?
The IUPAC name of 1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene (CID 71670386) is 1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene.
What is the SMILES notation for 1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene?
The canonical SMILES for 1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene is CC(C)(C)c1ccc(OP(C)(=O)Cl)cc1.
What is the InChIKey of 1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene?
The InChIKey is BSVJNYDXYNGLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClO2P/c1-11(2,3)9-5-7-10(8-6-9)14-15(4,12)13/h5-8H,1-4H3.
What are the key properties of 1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene?
1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene has a molecular weight of 246.67 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene is sourced from PubChem (CID 71670386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).