(2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol

C9H9Cl3O — CID 53356260

IUPAC(2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol
SMILESOC[C@H](Cl)[C@H](Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H9Cl3O/c10-7-3-1-6(2-4-7)9(12)8(11)5-13/h1-4,8-9,13H,5H2/t8-,9+/m0/s1
InChIKeyQHGBOXGEEPYKSL-DTWKUNHWSA-N
MW239.53 g/mol
LogP3.22
Rot. Bonds3

About (2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol

(2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol (PubChem CID 53356260) has the molecular formula C9H9Cl3O and a molecular weight of 239.53 g/mol. Its IUPAC name is (2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol
PubChem CID53356260
Molecular FormulaC9H9Cl3O
Molecular Weight239.53 g/mol
Exact Mass237.97
IUPAC Name(2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol
SMILESOC[C@H](Cl)[C@H](Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H9Cl3O/c10-7-3-1-6(2-4-7)9(12)8(11)5-13/h1-4,8-9,13H,5H2/t8-,9+/m0/s1
InChIKeyQHGBOXGEEPYKSL-DTWKUNHWSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.53
LogP ≤ 53.22
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

3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
2-(4-chlorophenyl)-3-methoxypropan-1-ol
CID 103985044
2-(4-chlorophenyl)-2-hydroperoxyethanol
CID 25136213
1-chloro-4-(1,3-dichloropropan-2-yl)benzene
CID 79452794
(1S,2R)-1-(4-chlorophenyl)-2-methylpropane-1,3-diol
CID 122579159
sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride
CID 132988119
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol
CID 19598878
1-chloro-4-(1-chloro-2-methylpentyl)benzene
CID 63429099
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
CID 129405029

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol?
The IUPAC name of (2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol (CID 53356260) is (2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for (2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for (2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol is OC[C@H](Cl)[C@H](Cl)c1ccc(Cl)cc1.
What is the InChIKey of (2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol?
The InChIKey is QHGBOXGEEPYKSL-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H9Cl3O/c10-7-3-1-6(2-4-7)9(12)8(11)5-13/h1-4,8-9,13H,5H2/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol?
(2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol has a molecular weight of 239.53 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 53356260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).