2,2-dichloro-1-(2,5-dichlorophenyl)ethanol

C8H6Cl4O — CID 70495317

IUPAC2,2-dichloro-1-(2,5-dichlorophenyl)ethanol
SMILESOC(c1cc(Cl)ccc1Cl)C(Cl)Cl
InChIInChI=1S/C8H6Cl4O/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,7-8,13H
InChIKeyXAUFGFKZNMVWMK-UHFFFAOYSA-N
MW259.95 g/mol
LogP3.83
Rot. Bonds2

About 2,2-dichloro-1-(2,5-dichlorophenyl)ethanol

2,2-dichloro-1-(2,5-dichlorophenyl)ethanol (PubChem CID 70495317) has the molecular formula C8H6Cl4O and a molecular weight of 259.95 g/mol. Its IUPAC name is 2,2-dichloro-1-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(2,5-dichlorophenyl)ethanol
PubChem CID70495317
Molecular FormulaC8H6Cl4O
Molecular Weight259.95 g/mol
Exact Mass257.92
IUPAC Name2,2-dichloro-1-(2,5-dichlorophenyl)ethanol
SMILESOC(c1cc(Cl)ccc1Cl)C(Cl)Cl
InChIInChI=1S/C8H6Cl4O/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,7-8,13H
InChIKeyXAUFGFKZNMVWMK-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorophenyl)-2-methoxypropan-1-ol
CID 79615936
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanol
CID 61083366
(2,5-dichlorophenyl)-pyrimidin-2-ylmethanol
CID 62789956
(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
CID 129405029
3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65188048
(1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol
CID 2317253
1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
CID 63411090
(2,5-dichlorophenyl)-(furan-2-yl)methanol
CID 21387725

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(2,5-dichlorophenyl)ethanol (CID 70495317) is 2,2-dichloro-1-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(2,5-dichlorophenyl)ethanol is OC(c1cc(Cl)ccc1Cl)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2,5-dichlorophenyl)ethanol?
The InChIKey is XAUFGFKZNMVWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4O/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,7-8,13H.
What are the key properties of 2,2-dichloro-1-(2,5-dichlorophenyl)ethanol?
2,2-dichloro-1-(2,5-dichlorophenyl)ethanol has a molecular weight of 259.95 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 70495317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).