2,3-dibromo-2-phenylpropan-1-ol

C9H10Br2O — CID 10424492

IUPAC2,3-dibromo-2-phenylpropan-1-ol
SMILESOCC(Br)(CBr)c1ccccc1
InChIInChI=1S/C9H10Br2O/c10-6-9(11,7-12)8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChIKeyPGEKXJQMWDFIOV-UHFFFAOYSA-N
MW293.99 g/mol
LogP2.66
Rot. Bonds3

About 2,3-dibromo-2-phenylpropan-1-ol

2,3-dibromo-2-phenylpropan-1-ol (PubChem CID 10424492) has the molecular formula C9H10Br2O and a molecular weight of 293.99 g/mol. Its IUPAC name is 2,3-dibromo-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2,3-dibromo-2-phenylpropan-1-ol
PubChem CID10424492
Molecular FormulaC9H10Br2O
Molecular Weight293.99 g/mol
Exact Mass291.91
IUPAC Name2,3-dibromo-2-phenylpropan-1-ol
SMILESOCC(Br)(CBr)c1ccccc1
InChIInChI=1S/C9H10Br2O/c10-6-9(11,7-12)8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChIKeyPGEKXJQMWDFIOV-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 52.66
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 2,3-dibromo-2-phenylpropan-1-ol?
The IUPAC name of 2,3-dibromo-2-phenylpropan-1-ol (CID 10424492) is 2,3-dibromo-2-phenylpropan-1-ol.
What is the SMILES notation for 2,3-dibromo-2-phenylpropan-1-ol?
The canonical SMILES for 2,3-dibromo-2-phenylpropan-1-ol is OCC(Br)(CBr)c1ccccc1.
What is the InChIKey of 2,3-dibromo-2-phenylpropan-1-ol?
The InChIKey is PGEKXJQMWDFIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O/c10-6-9(11,7-12)8-4-2-1-3-5-8/h1-5,12H,6-7H2.
What are the key properties of 2,3-dibromo-2-phenylpropan-1-ol?
2,3-dibromo-2-phenylpropan-1-ol has a molecular weight of 293.99 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-2-phenylpropan-1-ol is sourced from PubChem (CID 10424492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).