(4-chlorophenyl) dimethyl phosphate

C8H10ClO4P — CID 526174

IUPAC(4-chlorophenyl) dimethyl phosphate
SMILESCOP(=O)(OC)Oc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClO4P/c1-11-14(10,12-2)13-8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyFKNLOMSDGFTRBO-UHFFFAOYSA-N
MW236.59 g/mol
LogP3.12
Rot. Bonds4

About (4-chlorophenyl) dimethyl phosphate

(4-chlorophenyl) dimethyl phosphate (PubChem CID 526174) has the molecular formula C8H10ClO4P and a molecular weight of 236.59 g/mol. Its IUPAC name is (4-chlorophenyl) dimethyl phosphate.

Molecular Properties

Compound Name(4-chlorophenyl) dimethyl phosphate
PubChem CID526174
Molecular FormulaC8H10ClO4P
Molecular Weight236.59 g/mol
Exact Mass236.00
IUPAC Name(4-chlorophenyl) dimethyl phosphate
SMILESCOP(=O)(OC)Oc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClO4P/c1-11-14(10,12-2)13-8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyFKNLOMSDGFTRBO-UHFFFAOYSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.59
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) dimethyl phosphate?
The IUPAC name of (4-chlorophenyl) dimethyl phosphate (CID 526174) is (4-chlorophenyl) dimethyl phosphate.
What is the SMILES notation for (4-chlorophenyl) dimethyl phosphate?
The canonical SMILES for (4-chlorophenyl) dimethyl phosphate is COP(=O)(OC)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) dimethyl phosphate?
The InChIKey is FKNLOMSDGFTRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClO4P/c1-11-14(10,12-2)13-8-5-3-7(9)4-6-8/h3-6H,1-2H3.
What are the key properties of (4-chlorophenyl) dimethyl phosphate?
(4-chlorophenyl) dimethyl phosphate has a molecular weight of 236.59 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) dimethyl phosphate is sourced from PubChem (CID 526174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).