dichloro (2,4-dimethylphenyl) phosphate

C8H9Cl2O4P — CID 141025955

IUPACdichloro (2,4-dimethylphenyl) phosphate
SMILESCc1ccc(OP(=O)(OCl)OCl)c(C)c1
InChIInChI=1S/C8H9Cl2O4P/c1-6-3-4-8(7(2)5-6)12-15(11,13-9)14-10/h3-5H,1-2H3
InChIKeyLFFMUKRKYMJRCN-UHFFFAOYSA-N
MW271.04 g/mol
LogP4.13
Rot. Bonds4

About dichloro (2,4-dimethylphenyl) phosphate

dichloro (2,4-dimethylphenyl) phosphate (PubChem CID 141025955) has the molecular formula C8H9Cl2O4P and a molecular weight of 271.04 g/mol. Its IUPAC name is dichloro (2,4-dimethylphenyl) phosphate.

Molecular Properties

Compound Namedichloro (2,4-dimethylphenyl) phosphate
PubChem CID141025955
Molecular FormulaC8H9Cl2O4P
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Namedichloro (2,4-dimethylphenyl) phosphate
SMILESCc1ccc(OP(=O)(OCl)OCl)c(C)c1
InChIInChI=1S/C8H9Cl2O4P/c1-6-3-4-8(7(2)5-6)12-15(11,13-9)14-10/h3-5H,1-2H3
InChIKeyLFFMUKRKYMJRCN-UHFFFAOYSA-N
XLogP4.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 54.13
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

bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate
CID 3086236
(2,4-dimethylphenyl) (4-methylphenyl) naphthalen-2-yl phosphate
CID 139980273
biphenylene;bis(bis(2,4-dimethylphenyl) hydrogen phosphate)
CID 23499722
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
[(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983505
1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene
CID 123528023
(2,4-dimethylphenyl) sulfite
CID 57159721
4-[bis(2,4-dimethylphenoxy)phosphorylmethyl]-2,6-ditert-butylphenol
CID 88760648
CID 174515144
CID 174515144
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
(2-methylphenyl) diphenyl phosphate;(3-methylphenyl) diphenyl phosphate;(4-methylphenyl) diphenyl phosphate
CID 24832071
(2S)-2-(2,4-dimethylphenoxy)propanoyl chloride
CID 51663759

Frequently Asked Questions

What is the IUPAC name of dichloro (2,4-dimethylphenyl) phosphate?
The IUPAC name of dichloro (2,4-dimethylphenyl) phosphate (CID 141025955) is dichloro (2,4-dimethylphenyl) phosphate.
What is the SMILES notation for dichloro (2,4-dimethylphenyl) phosphate?
The canonical SMILES for dichloro (2,4-dimethylphenyl) phosphate is Cc1ccc(OP(=O)(OCl)OCl)c(C)c1.
What is the InChIKey of dichloro (2,4-dimethylphenyl) phosphate?
The InChIKey is LFFMUKRKYMJRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2O4P/c1-6-3-4-8(7(2)5-6)12-15(11,13-9)14-10/h3-5H,1-2H3.
What are the key properties of dichloro (2,4-dimethylphenyl) phosphate?
dichloro (2,4-dimethylphenyl) phosphate has a molecular weight of 271.04 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro (2,4-dimethylphenyl) phosphate is sourced from PubChem (CID 141025955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).