1-bromopropan-2-ol;hydrochloride

C3H8BrClO — CID 174841035

IUPAC1-bromopropan-2-ol;hydrochloride
SMILESCC(O)CBr.Cl
InChIInChI=1S/C3H7BrO.ClH/c1-3(5)2-4;/h3,5H,2H2,1H3;1H
InChIKeyPYHZKAVSQPNGCH-UHFFFAOYSA-N
MW175.45 g/mol
LogP1.18
Rot. Bonds1

About 1-bromopropan-2-ol;hydrochloride

1-bromopropan-2-ol;hydrochloride (PubChem CID 174841035) has the molecular formula C3H8BrClO and a molecular weight of 175.45 g/mol. Its IUPAC name is 1-bromopropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-bromopropan-2-ol;hydrochloride
PubChem CID174841035
Molecular FormulaC3H8BrClO
Molecular Weight175.45 g/mol
Exact Mass173.94
IUPAC Name1-bromopropan-2-ol;hydrochloride
SMILESCC(O)CBr.Cl
InChIInChI=1S/C3H7BrO.ClH/c1-3(5)2-4;/h3,5H,2H2,1H3;1H
InChIKeyPYHZKAVSQPNGCH-UHFFFAOYSA-N
XLogP1.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromopropan-2-ol;hydrochloride?
The IUPAC name of 1-bromopropan-2-ol;hydrochloride (CID 174841035) is 1-bromopropan-2-ol;hydrochloride.
What is the SMILES notation for 1-bromopropan-2-ol;hydrochloride?
The canonical SMILES for 1-bromopropan-2-ol;hydrochloride is CC(O)CBr.Cl.
What is the InChIKey of 1-bromopropan-2-ol;hydrochloride?
The InChIKey is PYHZKAVSQPNGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrO.ClH/c1-3(5)2-4;/h3,5H,2H2,1H3;1H.
What are the key properties of 1-bromopropan-2-ol;hydrochloride?
1-bromopropan-2-ol;hydrochloride has a molecular weight of 175.45 g/mol, XLogP of 1.18, 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;hydrochloride is sourced from PubChem (CID 174841035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).