(1S)-2-bromo-1-cyclobutylethanol

C6H11BrO — CID 129416122

IUPAC(1S)-2-bromo-1-cyclobutylethanol
SMILESO[C@H](CBr)C1CCC1
InChIInChI=1S/C6H11BrO/c7-4-6(8)5-2-1-3-5/h5-6,8H,1-4H2/t6-/m1/s1
InChIKeyILGQSMKSIDJVCS-ZCFIWIBFSA-N
MW179.06 g/mol
LogP1.54
Rot. Bonds2

About (1S)-2-bromo-1-cyclobutylethanol

(1S)-2-bromo-1-cyclobutylethanol (PubChem CID 129416122) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is (1S)-2-bromo-1-cyclobutylethanol.

Molecular Properties

Compound Name(1S)-2-bromo-1-cyclobutylethanol
PubChem CID129416122
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name(1S)-2-bromo-1-cyclobutylethanol
SMILESO[C@H](CBr)C1CCC1
InChIInChI=1S/C6H11BrO/c7-4-6(8)5-2-1-3-5/h5-6,8H,1-4H2/t6-/m1/s1
InChIKeyILGQSMKSIDJVCS-ZCFIWIBFSA-N
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.54
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

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CID 64986544
(2-bromo-1-cyclobutylethyl)cyclobutane
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(1R)-1-cyclohexylethane-1,2-diol
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1-cyclohexyl-2-cyclopentylethane-1,2-diol
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1-cyclobutyl-2-pyrrolidin-1-ylethanol
CID 117245548
(1R)-1-cyclopentylpropan-1-ol;sulfane
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(1S,3R)-1-cyclopentylbutane-1,3-diol
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1-cyclobutyl-5,5,5-trifluoropentan-1-ol
CID 115515676
1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol
CID 58100174
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CID 83050929

Frequently Asked Questions

What is the IUPAC name of (1S)-2-bromo-1-cyclobutylethanol?
The IUPAC name of (1S)-2-bromo-1-cyclobutylethanol (CID 129416122) is (1S)-2-bromo-1-cyclobutylethanol.
What is the SMILES notation for (1S)-2-bromo-1-cyclobutylethanol?
The canonical SMILES for (1S)-2-bromo-1-cyclobutylethanol is O[C@H](CBr)C1CCC1.
What is the InChIKey of (1S)-2-bromo-1-cyclobutylethanol?
The InChIKey is ILGQSMKSIDJVCS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11BrO/c7-4-6(8)5-2-1-3-5/h5-6,8H,1-4H2/t6-/m1/s1.
What are the key properties of (1S)-2-bromo-1-cyclobutylethanol?
(1S)-2-bromo-1-cyclobutylethanol has a molecular weight of 179.06 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-bromo-1-cyclobutylethanol is sourced from PubChem (CID 129416122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).