1-bromopropan-2-ol

C3H7BrO — CID 29740

IUPAC1-bromopropan-2-ol
SMILESCC(O)CBr
InChIInChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKeyWEGOLYBUWCMMMY-UHFFFAOYSA-N
MW138.99 g/mol
LogP0.76
Rot. Bonds1

About 1-bromopropan-2-ol

1-bromopropan-2-ol (PubChem CID 29740) has the molecular formula C3H7BrO and a molecular weight of 138.99 g/mol. Its IUPAC name is 1-bromopropan-2-ol.

Molecular Properties

Compound Name1-bromopropan-2-ol
PubChem CID29740
Molecular FormulaC3H7BrO
Molecular Weight138.99 g/mol
Exact Mass137.97
IUPAC Name1-bromopropan-2-ol
SMILESCC(O)CBr
InChIInChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKeyWEGOLYBUWCMMMY-UHFFFAOYSA-N
XLogP0.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.99
LogP ≤ 50.76
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-bromopropan-2-ol;hydrochloride
CID 174841035
europium;tetrakis(pentane-2,4-diol)
CID 59946569
ethane;hexane-2,5-diol
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ethane;tetrakis(propan-2-ol)
CID 174681393
propane-1,2-diol
CID 23506506
(2R,3S)-4-bromo-2-methylbutane-1,3-diol
CID 132937045
ethane;5-methylhexan-2-ol
CID 144624886
hydroxylamine;propan-2-ol
CID 22024851
aluminum butan-2-ol
CID 23623700
CID 58185744
CID 58185744
palladium;bis(pentane-2,4-diol)
CID 58773675
tris(pentane-2,4-diol);ruthenium
CID 5231187

Frequently Asked Questions

What is the IUPAC name of 1-bromopropan-2-ol?
The IUPAC name of 1-bromopropan-2-ol (CID 29740) is 1-bromopropan-2-ol.
What is the SMILES notation for 1-bromopropan-2-ol?
The canonical SMILES for 1-bromopropan-2-ol is CC(O)CBr.
What is the InChIKey of 1-bromopropan-2-ol?
The InChIKey is WEGOLYBUWCMMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3.
What are the key properties of 1-bromopropan-2-ol?
1-bromopropan-2-ol has a molecular weight of 138.99 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropan-2-ol is sourced from PubChem (CID 29740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).