[chloromethyl(ethoxy)phosphoryl]oxybenzene

C9H12ClO3P — CID 71429135

IUPAC[chloromethyl(ethoxy)phosphoryl]oxybenzene
SMILESCCOP(=O)(CCl)Oc1ccccc1
InChIInChI=1S/C9H12ClO3P/c1-2-12-14(11,8-10)13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyAYMBBEHJLQZQQG-UHFFFAOYSA-N
MW234.62 g/mol
LogP3.49
Rot. Bonds5

About [chloromethyl(ethoxy)phosphoryl]oxybenzene

[chloromethyl(ethoxy)phosphoryl]oxybenzene (PubChem CID 71429135) has the molecular formula C9H12ClO3P and a molecular weight of 234.62 g/mol. Its IUPAC name is [chloromethyl(ethoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[chloromethyl(ethoxy)phosphoryl]oxybenzene
PubChem CID71429135
Molecular FormulaC9H12ClO3P
Molecular Weight234.62 g/mol
Exact Mass234.02
IUPAC Name[chloromethyl(ethoxy)phosphoryl]oxybenzene
SMILESCCOP(=O)(CCl)Oc1ccccc1
InChIInChI=1S/C9H12ClO3P/c1-2-12-14(11,8-10)13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyAYMBBEHJLQZQQG-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.62
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[chloromethyl(pentoxy)phosphoryl]oxybenzene
CID 163137726
[chloromethyl(nonoxy)phosphoryl]oxybenzene
CID 163168049
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
2-[[ethoxy(phenoxy)phosphoryl]methyl]furan
CID 137470187
[chloromethyl(methyl)phosphoryl]oxybenzene
CID 71410923
1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
CID 137470189
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene
CID 67093206
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
[propoxy(prop-2-ynyl)phosphoryl]oxybenzene
CID 91062587

Frequently Asked Questions

What is the IUPAC name of [chloromethyl(ethoxy)phosphoryl]oxybenzene?
The IUPAC name of [chloromethyl(ethoxy)phosphoryl]oxybenzene (CID 71429135) is [chloromethyl(ethoxy)phosphoryl]oxybenzene.
What is the SMILES notation for [chloromethyl(ethoxy)phosphoryl]oxybenzene?
The canonical SMILES for [chloromethyl(ethoxy)phosphoryl]oxybenzene is CCOP(=O)(CCl)Oc1ccccc1.
What is the InChIKey of [chloromethyl(ethoxy)phosphoryl]oxybenzene?
The InChIKey is AYMBBEHJLQZQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClO3P/c1-2-12-14(11,8-10)13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of [chloromethyl(ethoxy)phosphoryl]oxybenzene?
[chloromethyl(ethoxy)phosphoryl]oxybenzene has a molecular weight of 234.62 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloromethyl(ethoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 71429135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).