[chloro-(2-chlorophenyl)methyl] dimethyl phosphate

C9H11Cl2O4P — CID 20511059

IUPAC[chloro-(2-chlorophenyl)methyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(Cl)c1ccccc1Cl
InChIInChI=1S/C9H11Cl2O4P/c1-13-16(12,14-2)15-9(11)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3
InChIKeyLMFFIOZWMSPHND-UHFFFAOYSA-N
MW285.06 g/mol
LogP3.99
Rot. Bonds5

About [chloro-(2-chlorophenyl)methyl] dimethyl phosphate

[chloro-(2-chlorophenyl)methyl] dimethyl phosphate (PubChem CID 20511059) has the molecular formula C9H11Cl2O4P and a molecular weight of 285.06 g/mol. Its IUPAC name is [chloro-(2-chlorophenyl)methyl] dimethyl phosphate.

Molecular Properties

Compound Name[chloro-(2-chlorophenyl)methyl] dimethyl phosphate
PubChem CID20511059
Molecular FormulaC9H11Cl2O4P
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name[chloro-(2-chlorophenyl)methyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(Cl)c1ccccc1Cl
InChIInChI=1S/C9H11Cl2O4P/c1-13-16(12,14-2)15-9(11)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3
InChIKeyLMFFIOZWMSPHND-UHFFFAOYSA-N
XLogP3.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene
CID 18427160
1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methoxy]methyl]benzene
CID 18755880
2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde
CID 88599323
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline
CID 102204724
(R)-(2-chlorophenyl)-diphenylphosphorylmethanol
CID 139074182
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
[1-(2-methoxyphenyl)-2-oxo-2-phenylethyl] dimethyl phosphate
CID 46198272
2-chloro-2-(2-chlorophenyl)-N,N-dimethylethanamine
CID 56690078
[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid
CID 101067310

Frequently Asked Questions

What is the IUPAC name of [chloro-(2-chlorophenyl)methyl] dimethyl phosphate?
The IUPAC name of [chloro-(2-chlorophenyl)methyl] dimethyl phosphate (CID 20511059) is [chloro-(2-chlorophenyl)methyl] dimethyl phosphate.
What is the SMILES notation for [chloro-(2-chlorophenyl)methyl] dimethyl phosphate?
The canonical SMILES for [chloro-(2-chlorophenyl)methyl] dimethyl phosphate is COP(=O)(OC)OC(Cl)c1ccccc1Cl.
What is the InChIKey of [chloro-(2-chlorophenyl)methyl] dimethyl phosphate?
The InChIKey is LMFFIOZWMSPHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2O4P/c1-13-16(12,14-2)15-9(11)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3.
What are the key properties of [chloro-(2-chlorophenyl)methyl] dimethyl phosphate?
[chloro-(2-chlorophenyl)methyl] dimethyl phosphate has a molecular weight of 285.06 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(2-chlorophenyl)methyl] dimethyl phosphate is sourced from PubChem (CID 20511059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).