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

C10H9Cl6O3P — CID 2783809

IUPAC2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol
SMILESO=P(c1ccccc1)(C(O)C(Cl)(Cl)Cl)C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9Cl6O3P/c11-9(12,13)7(17)20(19,8(18)10(14,15)16)6-4-2-1-3-5-6/h1-5,7-8,17-18H
InChIKeyBEGVOGHFSJFHJI-UHFFFAOYSA-N
MW420.87 g/mol
LogP4.05
Rot. Bonds3

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

2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol (PubChem CID 2783809) has the molecular formula C10H9Cl6O3P and a molecular weight of 420.87 g/mol. Its IUPAC name is 2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol
PubChem CID2783809
Molecular FormulaC10H9Cl6O3P
Molecular Weight420.87 g/mol
Exact Mass417.84
IUPAC Name2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol
SMILESO=P(c1ccccc1)(C(O)C(Cl)(Cl)Cl)C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9Cl6O3P/c11-9(12,13)7(17)20(19,8(18)10(14,15)16)6-4-2-1-3-5-6/h1-5,7-8,17-18H
InChIKeyBEGVOGHFSJFHJI-UHFFFAOYSA-N
XLogP4.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 54.05
H-Bond Donors ≤ 52
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
[[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol
CID 3784616
phenylphosphonic acid;terbium
CID 175289814
diphenylphosphorylbenzene;terbium
CID 86595283
phenyl(trichloromethoxy)phosphinic acid
CID 88763731
bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium
CID 155644613
1-[(1-amino-1-chloroethyl)-phenylphosphoryl]-1-chloroethanamine
CID 168876205
CID 66766975
CID 66766975
diphenylphosphinic acid chloride
CID 53401992
phenylphosphonic acid;phosphane
CID 157219344
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703
2,2,2-trichloro-N-diphenylphosphoryl-1-phenylethanamine
CID 122369831

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol?
The IUPAC name of 2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol (CID 2783809) is 2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol.
What is the SMILES notation for 2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol?
The canonical SMILES for 2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol is O=P(c1ccccc1)(C(O)C(Cl)(Cl)Cl)C(O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol?
The InChIKey is BEGVOGHFSJFHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl6O3P/c11-9(12,13)7(17)20(19,8(18)10(14,15)16)6-4-2-1-3-5-6/h1-5,7-8,17-18H.
What are the key properties of 2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol?
2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol has a molecular weight of 420.87 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol is sourced from PubChem (CID 2783809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).