(2-tert-butylphenyl) chloro hydrogen phosphate

C10H14ClO4P — CID 67980100

IUPAC(2-tert-butylphenyl) chloro hydrogen phosphate
SMILESCC(C)(C)c1ccccc1OP(=O)(O)OCl
InChIInChI=1S/C10H14ClO4P/c1-10(2,3)8-6-4-5-7-9(8)14-16(12,13)15-11/h4-7H,1-3H3,(H,12,13)
InChIKeyBBJXZHCESGPWNK-UHFFFAOYSA-N
MW264.64 g/mol
LogP3.63
Rot. Bonds3

About (2-tert-butylphenyl) chloro hydrogen phosphate

(2-tert-butylphenyl) chloro hydrogen phosphate (PubChem CID 67980100) has the molecular formula C10H14ClO4P and a molecular weight of 264.64 g/mol. Its IUPAC name is (2-tert-butylphenyl) chloro hydrogen phosphate.

Molecular Properties

Compound Name(2-tert-butylphenyl) chloro hydrogen phosphate
PubChem CID67980100
Molecular FormulaC10H14ClO4P
Molecular Weight264.64 g/mol
Exact Mass264.03
IUPAC Name(2-tert-butylphenyl) chloro hydrogen phosphate
SMILESCC(C)(C)c1ccccc1OP(=O)(O)OCl
InChIInChI=1S/C10H14ClO4P/c1-10(2,3)8-6-4-5-7-9(8)14-16(12,13)15-11/h4-7H,1-3H3,(H,12,13)
InChIKeyBBJXZHCESGPWNK-UHFFFAOYSA-N
XLogP3.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-tert-butylphenyl) chloro hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene
CID 15755466
1-tert-butyl-2-dichlorophosphoryloxybenzene
CID 22751830
bis[2-(trichloromethyl)phenyl] hydrogen phosphate
CID 87901471
bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate
CID 68741476
bis(2-tert-butylphenyl) (2,3,4,5,6-pentadeuteriophenyl) phosphate
CID 169434722
2-(2-tert-butylphenoxy)acetamide
CID 17051379
3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide
CID 60551513
lithium 2-(2-tert-butylphenoxy)acetate
CID 19205698
[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate
CID 68740859
(2-tert-butylphenoxy)-phenylphosphinous acid
CID 151933242
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
(2-tert-butylphenyl) benzoate
CID 734595

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl) chloro hydrogen phosphate?
The IUPAC name of (2-tert-butylphenyl) chloro hydrogen phosphate (CID 67980100) is (2-tert-butylphenyl) chloro hydrogen phosphate.
What is the SMILES notation for (2-tert-butylphenyl) chloro hydrogen phosphate?
The canonical SMILES for (2-tert-butylphenyl) chloro hydrogen phosphate is CC(C)(C)c1ccccc1OP(=O)(O)OCl.
What is the InChIKey of (2-tert-butylphenyl) chloro hydrogen phosphate?
The InChIKey is BBJXZHCESGPWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClO4P/c1-10(2,3)8-6-4-5-7-9(8)14-16(12,13)15-11/h4-7H,1-3H3,(H,12,13).
What are the key properties of (2-tert-butylphenyl) chloro hydrogen phosphate?
(2-tert-butylphenyl) chloro hydrogen phosphate has a molecular weight of 264.64 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl) chloro hydrogen phosphate is sourced from PubChem (CID 67980100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).