1-bromopentane-2,3-diol

C5H11BrO2 — CID 14237208

IUPAC1-bromopentane-2,3-diol
SMILESCCC(O)C(O)CBr
InChIInChI=1S/C5H11BrO2/c1-2-4(7)5(8)3-6/h4-5,7-8H,2-3H2,1H3
InChIKeyGLSCQKMWOKAZAJ-UHFFFAOYSA-N
MW183.04 g/mol
LogP0.51
Rot. Bonds3

About 1-bromopentane-2,3-diol

1-bromopentane-2,3-diol (PubChem CID 14237208) has the molecular formula C5H11BrO2 and a molecular weight of 183.04 g/mol. Its IUPAC name is 1-bromopentane-2,3-diol.

Molecular Properties

Compound Name1-bromopentane-2,3-diol
PubChem CID14237208
Molecular FormulaC5H11BrO2
Molecular Weight183.04 g/mol
Exact Mass181.99
IUPAC Name1-bromopentane-2,3-diol
SMILESCCC(O)C(O)CBr
InChIInChI=1S/C5H11BrO2/c1-2-4(7)5(8)3-6/h4-5,7-8H,2-3H2,1H3
InChIKeyGLSCQKMWOKAZAJ-UHFFFAOYSA-N
XLogP0.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.04
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dibromo-2,3-butanediol
CID 98512
Erythritol, 1,4-dibromo-1,4-dideoxy-, (O)-(+)-
CID 27263
2,3-Butanediol, 1,4-dibromo-, (R*,S*)-
CID 16042
5-Bromopentan-2-ol
CID 11041090
1-Bromopentan-2-ol
CID 13016769
4-Bromobutane-1,2-diol
CID 270812
1-Bromopentan-3-ol
CID 15110789
3-Bromo-2-pentanol
CID 542249
rel-(2R,3S,4R)-4-bromoheptane-2,3-diol
CID 641242
1-Aminooxy-1-bromobutan-2-ol
CID 91120919
5-Bromopentane-1,2-diol
CID 21305690
(2s,3s)-1,4-Dibromobutane-2,3-diol
CID 98502

Frequently Asked Questions

What is the IUPAC name of 1-bromopentane-2,3-diol?
The IUPAC name of 1-bromopentane-2,3-diol (CID 14237208) is 1-bromopentane-2,3-diol.
What is the SMILES notation for 1-bromopentane-2,3-diol?
The canonical SMILES for 1-bromopentane-2,3-diol is CCC(O)C(O)CBr.
What is the InChIKey of 1-bromopentane-2,3-diol?
The InChIKey is GLSCQKMWOKAZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrO2/c1-2-4(7)5(8)3-6/h4-5,7-8H,2-3H2,1H3.
What are the key properties of 1-bromopentane-2,3-diol?
1-bromopentane-2,3-diol has a molecular weight of 183.04 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopentane-2,3-diol is sourced from PubChem (CID 14237208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).