(2S)-2-bromo-2-deuterio-1-phenylethanol

C8H9BrO — CID 71507175

IUPAC(2S)-2-bromo-2-deuterio-1-phenylethanol
SMILES[2H][C@H](Br)C(O)c1ccccc1
InChIInChI=1S/C8H9BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/i6D/t6-,8?/m0/s1
InChIKeyDAHHEUQBMDBSLO-UGCUBOIBSA-N
MW202.07 g/mol
LogP2.11
Rot. Bonds2

About (2S)-2-bromo-2-deuterio-1-phenylethanol

(2S)-2-bromo-2-deuterio-1-phenylethanol (PubChem CID 71507175) has the molecular formula C8H9BrO and a molecular weight of 202.07 g/mol. Its IUPAC name is (2S)-2-bromo-2-deuterio-1-phenylethanol.

Molecular Properties

Compound Name(2S)-2-bromo-2-deuterio-1-phenylethanol
PubChem CID71507175
Molecular FormulaC8H9BrO
Molecular Weight202.07 g/mol
Exact Mass200.99
IUPAC Name(2S)-2-bromo-2-deuterio-1-phenylethanol
SMILES[2H][C@H](Br)C(O)c1ccccc1
InChIInChI=1S/C8H9BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/i6D/t6-,8?/m0/s1
InChIKeyDAHHEUQBMDBSLO-UGCUBOIBSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.07
LogP ≤ 52.11
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

(1S,2R)-2-deuterio-1-phenylpropan-1-ol
CID 175690859
5-bromo-1-phenylpentan-1-ol
CID 121216668
2-bromo-1-(4-phenylphenyl)ethanol
CID 13479157
(1S)-2-bromo-1-(4-phenylphenyl)ethanol
CID 13479158
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
2-amino-1-phenylethanol;ethane
CID 91425169
(1R)-1,2-diphenylethanol
CID 1379022
1-phenyl-2-phosphanylethanol
CID 572080
(1S)-2-chloro-1-phenylethanol
CID 643323
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
1,4,4-triphenylbutan-1-ol
CID 141326006
1-phenylpropan-1-ol;zirconium
CID 177444291

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-2-deuterio-1-phenylethanol?
The IUPAC name of (2S)-2-bromo-2-deuterio-1-phenylethanol (CID 71507175) is (2S)-2-bromo-2-deuterio-1-phenylethanol.
What is the SMILES notation for (2S)-2-bromo-2-deuterio-1-phenylethanol?
The canonical SMILES for (2S)-2-bromo-2-deuterio-1-phenylethanol is [2H][C@H](Br)C(O)c1ccccc1.
What is the InChIKey of (2S)-2-bromo-2-deuterio-1-phenylethanol?
The InChIKey is DAHHEUQBMDBSLO-UGCUBOIBSA-N. The full InChI is InChI=1S/C8H9BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/i6D/t6-,8?/m0/s1.
What are the key properties of (2S)-2-bromo-2-deuterio-1-phenylethanol?
(2S)-2-bromo-2-deuterio-1-phenylethanol has a molecular weight of 202.07 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-2-deuterio-1-phenylethanol is sourced from PubChem (CID 71507175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).