1,1,2-trichloro-2-(2-chlorophenyl)ethanol

C8H6Cl4O — CID 22614151

IUPAC1,1,2-trichloro-2-(2-chlorophenyl)ethanol
SMILESOC(Cl)(Cl)C(Cl)c1ccccc1Cl
InChIInChI=1S/C8H6Cl4O/c9-6-4-2-1-3-5(6)7(10)8(11,12)13/h1-4,7,13H
InChIKeyKUAJXSNMMDIUGB-UHFFFAOYSA-N
MW259.95 g/mol
LogP3.74
Rot. Bonds2

About 1,1,2-trichloro-2-(2-chlorophenyl)ethanol

1,1,2-trichloro-2-(2-chlorophenyl)ethanol (PubChem CID 22614151) has the molecular formula C8H6Cl4O and a molecular weight of 259.95 g/mol. Its IUPAC name is 1,1,2-trichloro-2-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name1,1,2-trichloro-2-(2-chlorophenyl)ethanol
PubChem CID22614151
Molecular FormulaC8H6Cl4O
Molecular Weight259.95 g/mol
Exact Mass257.92
IUPAC Name1,1,2-trichloro-2-(2-chlorophenyl)ethanol
SMILESOC(Cl)(Cl)C(Cl)c1ccccc1Cl
InChIInChI=1S/C8H6Cl4O/c9-6-4-2-1-3-5(6)7(10)8(11,12)13/h1-4,7,13H
InChIKeyKUAJXSNMMDIUGB-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.95
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2-trichloro-2-(2-chlorophenyl)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

1-chloro-2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)propan-2-ol
CID 70136322
1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
CID 172741718
1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methyl]peroxymethyl]benzene
CID 18427160
1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methoxy]methyl]benzene
CID 18755880
2,2-dibromo-1-(2-chlorophenyl)-2-fluoroethanol
CID 165441420
1-chloro-2-(1,2-dichloroethyl)benzene
CID 14832347
1-(2-chlorophenyl)-2-methylbutane-1,2-diol
CID 103448576
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
[chloro-(2-chlorophenyl)methyl]hydrazine
CID 70089531
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
1-chloro-2-(2,2,4-trimethylpentan-3-yl)benzene
CID 154618386

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-2-(2-chlorophenyl)ethanol?
The IUPAC name of 1,1,2-trichloro-2-(2-chlorophenyl)ethanol (CID 22614151) is 1,1,2-trichloro-2-(2-chlorophenyl)ethanol.
What is the SMILES notation for 1,1,2-trichloro-2-(2-chlorophenyl)ethanol?
The canonical SMILES for 1,1,2-trichloro-2-(2-chlorophenyl)ethanol is OC(Cl)(Cl)C(Cl)c1ccccc1Cl.
What is the InChIKey of 1,1,2-trichloro-2-(2-chlorophenyl)ethanol?
The InChIKey is KUAJXSNMMDIUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4O/c9-6-4-2-1-3-5(6)7(10)8(11,12)13/h1-4,7,13H.
What are the key properties of 1,1,2-trichloro-2-(2-chlorophenyl)ethanol?
1,1,2-trichloro-2-(2-chlorophenyl)ethanol has a molecular weight of 259.95 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-2-(2-chlorophenyl)ethanol is sourced from PubChem (CID 22614151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).