2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol

C10H11Cl4O3P — CID 3788110

IUPAC2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol
SMILESCCOP(=O)(c1ccccc1Cl)C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H11Cl4O3P/c1-2-17-18(16,9(15)10(12,13)14)8-6-4-3-5-7(8)11/h3-6,9,15H,2H2,1H3
InChIKeyIVPIKQOPYDQLAQ-UHFFFAOYSA-N
MW351.98 g/mol
LogP3.97
Rot. Bonds4

About 2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol

2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol (PubChem CID 3788110) has the molecular formula C10H11Cl4O3P and a molecular weight of 351.98 g/mol. Its IUPAC name is 2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol
PubChem CID3788110
Molecular FormulaC10H11Cl4O3P
Molecular Weight351.98 g/mol
Exact Mass349.92
IUPAC Name2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol
SMILESCCOP(=O)(c1ccccc1Cl)C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H11Cl4O3P/c1-2-17-18(16,9(15)10(12,13)14)8-6-4-3-5-7(8)11/h3-6,9,15H,2H2,1H3
InChIKeyIVPIKQOPYDQLAQ-UHFFFAOYSA-N
XLogP3.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.98
LogP ≤ 53.97
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'}

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Related Compounds

2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
CID 46220815
1,2-dichloro-3-diethoxyphosphorylbenzene
CID 166609863
[2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid
CID 71676346
1-bis(2-chlorophenyl)phosphoryl-2-chlorobenzene
CID 21317798
1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585
2-chloro-N'-diethoxyphosphorylbenzenecarboximidamide
CID 165350563
(2,5-dichlorophenyl)-ethoxyphosphinic acid
CID 165355272
(2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane
CID 54518407
(E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine
CID 13117188
1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine
CID 13407938
[2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid
CID 118483667
1-[ethoxy-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 23081831

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol?
The IUPAC name of 2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol (CID 3788110) is 2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol.
What is the SMILES notation for 2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol?
The canonical SMILES for 2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol is CCOP(=O)(c1ccccc1Cl)C(O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol?
The InChIKey is IVPIKQOPYDQLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl4O3P/c1-2-17-18(16,9(15)10(12,13)14)8-6-4-3-5-7(8)11/h3-6,9,15H,2H2,1H3.
What are the key properties of 2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol?
2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol has a molecular weight of 351.98 g/mol, XLogP of 3.97, 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-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol is sourced from PubChem (CID 3788110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).