(1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol

C8H7Cl3O — CID 5324672

IUPAC(1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol
SMILESO[C@H](CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2/t8-/m1/s1
InChIKeyXHEPANNURIQWRM-MRVPVSSYSA-N
MW225.50 g/mol
LogP3.27
Rot. Bonds2

About (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol

(1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol (PubChem CID 5324672) has the molecular formula C8H7Cl3O and a molecular weight of 225.50 g/mol. Its IUPAC name is (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol
PubChem CID5324672
Molecular FormulaC8H7Cl3O
Molecular Weight225.50 g/mol
Exact Mass223.96
IUPAC Name(1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol
SMILESO[C@H](CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2/t8-/m1/s1
InChIKeyXHEPANNURIQWRM-MRVPVSSYSA-N
XLogP3.27
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 ≤ 53.27
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

2,4-Dichlorobenzyl alcohol
CID 15684
4-Chlorobenzyl alcohol
CID 13397
Benzenemethanol, 2,6-dichloro-
CID 27156
2,2,2-Trichloro-1-phenylethanol
CID 16150
(1R)-3-chloro-1-phenylpropan-1-ol
CID 642409
4,4'-Dichlorobenzhydrol
CID 7033
4-Chlorobenzhydrol
CID 8401
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
1-(3-Chlorophenyl)-2,2-dichloroethanol
CID 33983
3,5-Dichlorobenzylic alcohol
CID 43236
Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-
CID 202426
4-Chloro-alpha-(trichloromethyl)benzenemethanol
CID 21417

Frequently Asked Questions

What is the IUPAC name of (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol (CID 5324672) is (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol is O[C@H](CCl)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is XHEPANNURIQWRM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2/t8-/m1/s1.
What are the key properties of (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol?
(1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 225.50 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-chloro-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 5324672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).