(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol

C9H11ClO2 — CID 66634039

IUPAC(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
SMILESC[C@@H](O)[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C9H11ClO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,9,11-12H,1H3/t6-,9-/m1/s1
InChIKeyVMBILFRHBQVTOS-HZGVNTEJSA-N
MW186.64 g/mol
LogP1.75
Rot. Bonds2

About (1S,2R)-1-(2-chlorophenyl)propane-1,2-diol

(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol (PubChem CID 66634039) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is (1S,2R)-1-(2-chlorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
PubChem CID66634039
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
SMILESC[C@@H](O)[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C9H11ClO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,9,11-12H,1H3/t6-,9-/m1/s1
InChIKeyVMBILFRHBQVTOS-HZGVNTEJSA-N
XLogP1.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
1-(2-chlorophenyl)-2-methylpentan-1-ol
CID 63902435
(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11846439
2-(2-chlorophenyl)-4-methylpentan-3-ol
CID 79299181
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
CID 156875772
5-(2-chlorophenyl)hexane-2,3-diol
CID 83924274
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(2-chlorophenyl)propane-1,2-diol?
The IUPAC name of (1S,2R)-1-(2-chlorophenyl)propane-1,2-diol (CID 66634039) is (1S,2R)-1-(2-chlorophenyl)propane-1,2-diol.
What is the SMILES notation for (1S,2R)-1-(2-chlorophenyl)propane-1,2-diol?
The canonical SMILES for (1S,2R)-1-(2-chlorophenyl)propane-1,2-diol is C[C@@H](O)[C@@H](O)c1ccccc1Cl.
What is the InChIKey of (1S,2R)-1-(2-chlorophenyl)propane-1,2-diol?
The InChIKey is VMBILFRHBQVTOS-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,9,11-12H,1H3/t6-,9-/m1/s1.
What are the key properties of (1S,2R)-1-(2-chlorophenyl)propane-1,2-diol?
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol has a molecular weight of 186.64 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(2-chlorophenyl)propane-1,2-diol is sourced from PubChem (CID 66634039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).