[chloromethyl(methyl)phosphoryl]oxybenzene

C8H10ClO2P — CID 71410923

IUPAC[chloromethyl(methyl)phosphoryl]oxybenzene
SMILESCP(=O)(CCl)Oc1ccccc1
InChIInChI=1S/C8H10ClO2P/c1-12(10,7-9)11-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeySDKYIUBVLGGXRX-UHFFFAOYSA-N
MW204.59 g/mol
LogP3.17
Rot. Bonds3

About [chloromethyl(methyl)phosphoryl]oxybenzene

[chloromethyl(methyl)phosphoryl]oxybenzene (PubChem CID 71410923) has the molecular formula C8H10ClO2P and a molecular weight of 204.59 g/mol. Its IUPAC name is [chloromethyl(methyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[chloromethyl(methyl)phosphoryl]oxybenzene
PubChem CID71410923
Molecular FormulaC8H10ClO2P
Molecular Weight204.59 g/mol
Exact Mass204.01
IUPAC Name[chloromethyl(methyl)phosphoryl]oxybenzene
SMILESCP(=O)(CCl)Oc1ccccc1
InChIInChI=1S/C8H10ClO2P/c1-12(10,7-9)11-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeySDKYIUBVLGGXRX-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.59
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [chloromethyl(methyl)phosphoryl]oxybenzene 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

[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
[amino(methyl)phosphoryl]oxybenzene
CID 11864135
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene
CID 11865181
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
argon;[chloro(phenoxy)phosphoryl]oxybenzene
CID 159408422
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
N-methyl-N-[methyl(phenoxy)phosphoryl]methanamine
CID 102289080
chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane
CID 14812628
[chloromethyl(pentoxy)phosphoryl]oxybenzene
CID 163137726

Frequently Asked Questions

What is the IUPAC name of [chloromethyl(methyl)phosphoryl]oxybenzene?
The IUPAC name of [chloromethyl(methyl)phosphoryl]oxybenzene (CID 71410923) is [chloromethyl(methyl)phosphoryl]oxybenzene.
What is the SMILES notation for [chloromethyl(methyl)phosphoryl]oxybenzene?
The canonical SMILES for [chloromethyl(methyl)phosphoryl]oxybenzene is CP(=O)(CCl)Oc1ccccc1.
What is the InChIKey of [chloromethyl(methyl)phosphoryl]oxybenzene?
The InChIKey is SDKYIUBVLGGXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClO2P/c1-12(10,7-9)11-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of [chloromethyl(methyl)phosphoryl]oxybenzene?
[chloromethyl(methyl)phosphoryl]oxybenzene has a molecular weight of 204.59 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloromethyl(methyl)phosphoryl]oxybenzene is sourced from PubChem (CID 71410923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).