2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol

C10H12Cl3O3P — CID 46220815

IUPAC2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
SMILESCCOP(=O)(c1ccccc1)C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H12Cl3O3P/c1-2-16-17(15,9(14)10(11,12)13)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3
InChIKeyMXICENIPTONBED-UHFFFAOYSA-N
MW317.54 g/mol
LogP3.32
Rot. Bonds4

About 2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol

2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol (PubChem CID 46220815) has the molecular formula C10H12Cl3O3P and a molecular weight of 317.54 g/mol. Its IUPAC name is 2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
PubChem CID46220815
Molecular FormulaC10H12Cl3O3P
Molecular Weight317.54 g/mol
Exact Mass315.96
IUPAC Name2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
SMILESCCOP(=O)(c1ccccc1)C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H12Cl3O3P/c1-2-16-17(15,9(14)10(11,12)13)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3
InChIKeyMXICENIPTONBED-UHFFFAOYSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol 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

2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol
CID 3788110
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
(R)-[ethoxy(phenyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860165
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767
2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol
CID 2783809
(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
CID 11861697
[ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene
CID 23280723
N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 11784176
[[azido(diethoxyphosphoryl)methyl]-ethoxyphosphoryl]benzene
CID 21015356
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
(3R)-3-[(S)-[ethoxy(phenyl)phosphoryl]-hydroxymethyl]oxan-4-one
CID 45113420
[(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate
CID 2317818

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol?
The IUPAC name of 2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol (CID 46220815) is 2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol.
What is the SMILES notation for 2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol?
The canonical SMILES for 2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol is CCOP(=O)(c1ccccc1)C(O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol?
The InChIKey is MXICENIPTONBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3O3P/c1-2-16-17(15,9(14)10(11,12)13)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3.
What are the key properties of 2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol?
2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol has a molecular weight of 317.54 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol is sourced from PubChem (CID 46220815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).