[chloro(ethoxy)phosphoryl]methylbenzene

C9H12ClO2P — CID 12634157

IUPAC[chloro(ethoxy)phosphoryl]methylbenzene
SMILESCCOP(=O)(Cl)Cc1ccccc1
InChIInChI=1S/C9H12ClO2P/c1-2-12-13(10,11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyIZMMQENMUSWJRM-UHFFFAOYSA-N
MW218.62 g/mol
LogP3.65
Rot. Bonds4

About [chloro(ethoxy)phosphoryl]methylbenzene

[chloro(ethoxy)phosphoryl]methylbenzene (PubChem CID 12634157) has the molecular formula C9H12ClO2P and a molecular weight of 218.62 g/mol. Its IUPAC name is [chloro(ethoxy)phosphoryl]methylbenzene.

Molecular Properties

Compound Name[chloro(ethoxy)phosphoryl]methylbenzene
PubChem CID12634157
Molecular FormulaC9H12ClO2P
Molecular Weight218.62 g/mol
Exact Mass218.03
IUPAC Name[chloro(ethoxy)phosphoryl]methylbenzene
SMILESCCOP(=O)(Cl)Cc1ccccc1
InChIInChI=1S/C9H12ClO2P/c1-2-12-13(10,11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyIZMMQENMUSWJRM-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.62
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene
CID 173306298
2-diethoxyphosphorylethylbenzene
CID 3448525
(2,2-dichloro-2-diethoxyphosphorylethyl)benzene
CID 11141450
1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585
2-[[chloro(ethoxy)phosphoryl]methyl]-1-phenylmethoxy-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 54536279
1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
CID 137470189
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
CID 11324093
[ethoxy(2-phenylsulfanylethyl)phosphoryl]methylbenzene
CID 161044243
benzyl(octoxy)phosphinic acid
CID 57273466
benzyl ethyl methyl phosphate
CID 152677778

Frequently Asked Questions

What is the IUPAC name of [chloro(ethoxy)phosphoryl]methylbenzene?
The IUPAC name of [chloro(ethoxy)phosphoryl]methylbenzene (CID 12634157) is [chloro(ethoxy)phosphoryl]methylbenzene.
What is the SMILES notation for [chloro(ethoxy)phosphoryl]methylbenzene?
The canonical SMILES for [chloro(ethoxy)phosphoryl]methylbenzene is CCOP(=O)(Cl)Cc1ccccc1.
What is the InChIKey of [chloro(ethoxy)phosphoryl]methylbenzene?
The InChIKey is IZMMQENMUSWJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClO2P/c1-2-12-13(10,11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of [chloro(ethoxy)phosphoryl]methylbenzene?
[chloro(ethoxy)phosphoryl]methylbenzene has a molecular weight of 218.62 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(ethoxy)phosphoryl]methylbenzene is sourced from PubChem (CID 12634157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).