(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol

C6H11BrO2 — CID 124679633

IUPAC(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
SMILESO[C@H](CBr)[C@H]1CCOC1
InChIInChI=1S/C6H11BrO2/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-4H2/t5-,6+/m0/s1
InChIKeyIXUBWZIYFWKBBU-NTSWFWBYSA-N
MW195.06 g/mol
LogP0.78
Rot. Bonds2

About (1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol

(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol (PubChem CID 124679633) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is (1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
PubChem CID124679633
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
SMILESO[C@H](CBr)[C@H]1CCOC1
InChIInChI=1S/C6H11BrO2/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-4H2/t5-,6+/m0/s1
InChIKeyIXUBWZIYFWKBBU-NTSWFWBYSA-N
XLogP0.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
1-(oxolan-3-yl)but-3-en-1-ol
CID 65329899
2-(oxetan-3-yloxy)-1-(oxolan-3-yl)ethanol
CID 102607300
1-(oxolan-3-yl)pent-4-en-1-ol
CID 65330730
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
2-(cyclopentylmethoxy)-1-(oxolan-3-yl)ethanol
CID 104753738
(1S)-2-bromo-1-cyclobutylethanol
CID 129416122
3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol
CID 116504528
4-methoxy-1-(oxolan-3-yl)pentan-1-ol
CID 105097696
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686
2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanol
CID 104753532

Frequently Asked Questions

What is the IUPAC name of (1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol?
The IUPAC name of (1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol (CID 124679633) is (1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol.
What is the SMILES notation for (1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol?
The canonical SMILES for (1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol is O[C@H](CBr)[C@H]1CCOC1.
What is the InChIKey of (1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol?
The InChIKey is IXUBWZIYFWKBBU-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11BrO2/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol?
(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol has a molecular weight of 195.06 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol is sourced from PubChem (CID 124679633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).