(2S)-1-bromo-3-chloropropan-2-ol

C3H6BrClO — CID 10352177

IUPAC(2S)-1-bromo-3-chloropropan-2-ol
SMILESO[C@@H](CCl)CBr
InChIInChI=1S/C3H6BrClO/c4-1-3(6)2-5/h3,6H,1-2H2/t3-/m1/s1
InChIKeyTVDCSPSRGSLXOV-GSVOUGTGSA-N
MW173.44 g/mol
LogP0.98
Rot. Bonds2

About (2S)-1-bromo-3-chloropropan-2-ol

(2S)-1-bromo-3-chloropropan-2-ol (PubChem CID 10352177) has the molecular formula C3H6BrClO and a molecular weight of 173.44 g/mol. Its IUPAC name is (2S)-1-bromo-3-chloropropan-2-ol.

Molecular Properties

Compound Name(2S)-1-bromo-3-chloropropan-2-ol
PubChem CID10352177
Molecular FormulaC3H6BrClO
Molecular Weight173.44 g/mol
Exact Mass171.93
IUPAC Name(2S)-1-bromo-3-chloropropan-2-ol
SMILESO[C@@H](CCl)CBr
InChIInChI=1S/C3H6BrClO/c4-1-3(6)2-5/h3,6H,1-2H2/t3-/m1/s1
InChIKeyTVDCSPSRGSLXOV-GSVOUGTGSA-N
XLogP0.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.44
LogP ≤ 50.98
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-chloro-3-(18F)fluoropropan-2-ol
CID 59622889
(3R)-4-chlorobutane-1,3-diol
CID 7021080
1,3-dichloropropan-2-ol;N,N-dipropylpropan-1-amine
CID 146662628
(2S)-1-chloro-4-methylpentan-2-ol
CID 641049
1-chloro-3-(trihydroxy-λ4-sulfanyl)propan-2-ol
CID 177342408
1,4,4,4-tetrachlorobutan-2-ol
CID 11052958
(2S)-1-aminooxy-3-chloropropan-2-ol
CID 129235257
(3-chloro-2-hydroxypropyl)-dimethylazanium chloride
CID 18936016
(3-bromo-2-hydroxypropyl)-trimethylazanium bromide
CID 15617985
1-chloro-3-hydrazinylpropan-2-ol
CID 156701816
(2R)-1-bromo-3-chloro-2-methylpropane
CID 642183
(3R)-4-bromo-3-hydroxybutanoate
CID 18610873

Frequently Asked Questions

What is the IUPAC name of (2S)-1-bromo-3-chloropropan-2-ol?
The IUPAC name of (2S)-1-bromo-3-chloropropan-2-ol (CID 10352177) is (2S)-1-bromo-3-chloropropan-2-ol.
What is the SMILES notation for (2S)-1-bromo-3-chloropropan-2-ol?
The canonical SMILES for (2S)-1-bromo-3-chloropropan-2-ol is O[C@@H](CCl)CBr.
What is the InChIKey of (2S)-1-bromo-3-chloropropan-2-ol?
The InChIKey is TVDCSPSRGSLXOV-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H6BrClO/c4-1-3(6)2-5/h3,6H,1-2H2/t3-/m1/s1.
What are the key properties of (2S)-1-bromo-3-chloropropan-2-ol?
(2S)-1-bromo-3-chloropropan-2-ol has a molecular weight of 173.44 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-bromo-3-chloropropan-2-ol is sourced from PubChem (CID 10352177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).