(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol

C8H7Cl3O — CID 129405029

IUPAC(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
SMILESO[C@@H](c1ccc(Cl)cc1)C(Cl)Cl
InChIInChI=1S/C8H7Cl3O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7-8,12H/t7-/m0/s1
InChIKeyNDRAYDLMSSAKPL-ZETCQYMHSA-N
MW225.50 g/mol
LogP3.18
Rot. Bonds2

About (1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol

(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol (PubChem CID 129405029) has the molecular formula C8H7Cl3O and a molecular weight of 225.50 g/mol. Its IUPAC name is (1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
PubChem CID129405029
Molecular FormulaC8H7Cl3O
Molecular Weight225.50 g/mol
Exact Mass223.96
IUPAC Name(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
SMILESO[C@@H](c1ccc(Cl)cc1)C(Cl)Cl
InChIInChI=1S/C8H7Cl3O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7-8,12H/t7-/m0/s1
InChIKeyNDRAYDLMSSAKPL-ZETCQYMHSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.50
LogP ≤ 53.18
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-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
2,2-dichloro-1-(4-fluoro-3-methylsulfanylphenyl)ethanol
CID 164892667
(4-chlorophenyl)-fluoromethanol
CID 174952192
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
CID 73115423
(1S,2R)-1-(4-chlorophenyl)-2-methylpropane-1,3-diol
CID 122579159
1-(4-chlorophenyl)pentane-1,2-diol
CID 103454768
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
CID 14870787
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 164892453

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol?
The IUPAC name of (1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol (CID 129405029) is (1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for (1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol?
The canonical SMILES for (1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol is O[C@@H](c1ccc(Cl)cc1)C(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol?
The InChIKey is NDRAYDLMSSAKPL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7Cl3O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7-8,12H/t7-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol?
(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol has a molecular weight of 225.50 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 129405029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).