(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol

C9H10Br2O — CID 11300855

IUPAC(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol
SMILESOC[C@@H](Br)[C@@H](Br)c1ccccc1
InChIInChI=1S/C9H10Br2O/c10-8(6-12)9(11)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2/t8-,9+/m1/s1
InChIKeyQBFQIVMHGSMOJV-BDAKNGLRSA-N
MW293.99 g/mol
LogP2.88
Rot. Bonds3

About (2R,3S)-2,3-dibromo-3-phenylpropan-1-ol

(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol (PubChem CID 11300855) has the molecular formula C9H10Br2O and a molecular weight of 293.99 g/mol. Its IUPAC name is (2R,3S)-2,3-dibromo-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol
PubChem CID11300855
Molecular FormulaC9H10Br2O
Molecular Weight293.99 g/mol
Exact Mass291.91
IUPAC Name(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol
SMILESOC[C@@H](Br)[C@@H](Br)c1ccccc1
InChIInChI=1S/C9H10Br2O/c10-8(6-12)9(11)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2/t8-,9+/m1/s1
InChIKeyQBFQIVMHGSMOJV-BDAKNGLRSA-N
XLogP2.88
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 ≤ 52.88
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

2-bromo-1-phenylpropane-1,3-diol
CID 21270529
(2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol
CID 10988050
2,3-dibromo-3-(4-fluorophenyl)propan-1-ol
CID 139985388
[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
CID 3010073
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
CID 10969851
[1,2-dibromo-3-(2,3-dibromo-3-phenylpropoxy)propyl]benzene
CID 174279741
(2R,3R)-2,3-diphenylpentane-1,5-diol
CID 102125969
4,4-dimethyl-2-phenylpentane-1,3-diol
CID 91566157
4-hydroxy-2-(hydroxymethyl)-3-phenylbutanal
CID 10899506
[(1R)-2-hydroxy-1-phenylethyl]azanium
CID 6950536
[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene
CID 101135261
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dibromo-3-phenylpropan-1-ol?
The IUPAC name of (2R,3S)-2,3-dibromo-3-phenylpropan-1-ol (CID 11300855) is (2R,3S)-2,3-dibromo-3-phenylpropan-1-ol.
What is the SMILES notation for (2R,3S)-2,3-dibromo-3-phenylpropan-1-ol?
The canonical SMILES for (2R,3S)-2,3-dibromo-3-phenylpropan-1-ol is OC[C@@H](Br)[C@@H](Br)c1ccccc1.
What is the InChIKey of (2R,3S)-2,3-dibromo-3-phenylpropan-1-ol?
The InChIKey is QBFQIVMHGSMOJV-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H10Br2O/c10-8(6-12)9(11)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2/t8-,9+/m1/s1.
What are the key properties of (2R,3S)-2,3-dibromo-3-phenylpropan-1-ol?
(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol has a molecular weight of 293.99 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dibromo-3-phenylpropan-1-ol is sourced from PubChem (CID 11300855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).