1-tert-butyl-2-dichlorophosphoryloxybenzene

C10H13Cl2O2P — CID 22751830

IUPAC1-tert-butyl-2-dichlorophosphoryloxybenzene
SMILESCC(C)(C)c1ccccc1OP(=O)(Cl)Cl
InChIInChI=1S/C10H13Cl2O2P/c1-10(2,3)8-6-4-5-7-9(8)14-15(11,12)13/h4-7H,1-3H3
InChIKeyCDFJGMHIBLIMGT-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.95
Rot. Bonds2

About 1-tert-butyl-2-dichlorophosphoryloxybenzene

1-tert-butyl-2-dichlorophosphoryloxybenzene (PubChem CID 22751830) has the molecular formula C10H13Cl2O2P and a molecular weight of 267.09 g/mol. Its IUPAC name is 1-tert-butyl-2-dichlorophosphoryloxybenzene.

Molecular Properties

Compound Name1-tert-butyl-2-dichlorophosphoryloxybenzene
PubChem CID22751830
Molecular FormulaC10H13Cl2O2P
Molecular Weight267.09 g/mol
Exact Mass266.00
IUPAC Name1-tert-butyl-2-dichlorophosphoryloxybenzene
SMILESCC(C)(C)c1ccccc1OP(=O)(Cl)Cl
InChIInChI=1S/C10H13Cl2O2P/c1-10(2,3)8-6-4-5-7-9(8)14-15(11,12)13/h4-7H,1-3H3
InChIKeyCDFJGMHIBLIMGT-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.95
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

1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene
CID 15755466
(2-tert-butylphenyl) chloro hydrogen phosphate
CID 67980100
bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate
CID 68741476
bis(2-tert-butylphenyl) (2,3,4,5,6-pentadeuteriophenyl) phosphate
CID 169434722
1-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)oxybenzene
CID 82084597
bis[2-(trichloromethyl)phenyl] hydrogen phosphate
CID 87901471
tris[1,1-bis(2-tert-butylphenyl)ethyl] phosphate
CID 87292388
(2-tert-butylphenyl) benzenesulfonate
CID 87462365
(2-tert-butylphenyl) benzoate
CID 734595
CID 175472927
CID 175472927
(2-tert-butylphenyl) 2-methylbutan-2-yl carbonate
CID 67161729
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-dichlorophosphoryloxybenzene?
The IUPAC name of 1-tert-butyl-2-dichlorophosphoryloxybenzene (CID 22751830) is 1-tert-butyl-2-dichlorophosphoryloxybenzene.
What is the SMILES notation for 1-tert-butyl-2-dichlorophosphoryloxybenzene?
The canonical SMILES for 1-tert-butyl-2-dichlorophosphoryloxybenzene is CC(C)(C)c1ccccc1OP(=O)(Cl)Cl.
What is the InChIKey of 1-tert-butyl-2-dichlorophosphoryloxybenzene?
The InChIKey is CDFJGMHIBLIMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2O2P/c1-10(2,3)8-6-4-5-7-9(8)14-15(11,12)13/h4-7H,1-3H3.
What are the key properties of 1-tert-butyl-2-dichlorophosphoryloxybenzene?
1-tert-butyl-2-dichlorophosphoryloxybenzene has a molecular weight of 267.09 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-dichlorophosphoryloxybenzene is sourced from PubChem (CID 22751830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).