(2S)-1-bromo-2-phenylbutan-2-ol

C10H13BrO — CID 101213758

IUPAC(2S)-1-bromo-2-phenylbutan-2-ol
SMILESCC[C@@](O)(CBr)c1ccccc1
InChIInChI=1S/C10H13BrO/c1-2-10(12,8-11)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3/t10-/m1/s1
InChIKeyGXPDKBBVJUKOAB-SNVBAGLBSA-N
MW229.12 g/mol
LogP2.68
Rot. Bonds3

About (2S)-1-bromo-2-phenylbutan-2-ol

(2S)-1-bromo-2-phenylbutan-2-ol (PubChem CID 101213758) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is (2S)-1-bromo-2-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-bromo-2-phenylbutan-2-ol
PubChem CID101213758
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name(2S)-1-bromo-2-phenylbutan-2-ol
SMILESCC[C@@](O)(CBr)c1ccccc1
InChIInChI=1S/C10H13BrO/c1-2-10(12,8-11)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3/t10-/m1/s1
InChIKeyGXPDKBBVJUKOAB-SNVBAGLBSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.68
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-amino-3-phenylpentan-3-ol
CID 79006155
[(2R)-1-bromo-2-fluorobutan-2-yl]benzene
CID 129322211
1-bromo-2-phenylpent-4-en-2-ol
CID 72801000
4-hydroxy-1,1,1,4-tetraphenylhexan-2-one
CID 13396368
(1-ethoxy-1-phenylpropyl)benzene;3-phenylpentan-3-ol
CID 67792118
7,7,7-trifluoro-3-phenylheptan-3-ol
CID 113326695
3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004
1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol
CID 14580196
5-methylidene-3-phenylhept-6-en-3-ol
CID 90476881
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
6-methylsulfonyl-3-phenylhexan-3-ol
CID 65146576
(2-hydroxy-2-phenylbutyl) sulfamate
CID 88672538

Frequently Asked Questions

What is the IUPAC name of (2S)-1-bromo-2-phenylbutan-2-ol?
The IUPAC name of (2S)-1-bromo-2-phenylbutan-2-ol (CID 101213758) is (2S)-1-bromo-2-phenylbutan-2-ol.
What is the SMILES notation for (2S)-1-bromo-2-phenylbutan-2-ol?
The canonical SMILES for (2S)-1-bromo-2-phenylbutan-2-ol is CC[C@@](O)(CBr)c1ccccc1.
What is the InChIKey of (2S)-1-bromo-2-phenylbutan-2-ol?
The InChIKey is GXPDKBBVJUKOAB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13BrO/c1-2-10(12,8-11)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3/t10-/m1/s1.
What are the key properties of (2S)-1-bromo-2-phenylbutan-2-ol?
(2S)-1-bromo-2-phenylbutan-2-ol has a molecular weight of 229.12 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-bromo-2-phenylbutan-2-ol is sourced from PubChem (CID 101213758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).