(1S)-1-(2-bromophenyl)ethanol

C8H9BrO — CID 6950331

IUPAC(1S)-1-(2-bromophenyl)ethanol
SMILESC[C@H](O)c1ccccc1Br
InChIInChI=1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1
InChIKeyDZLZSFZSPIUINR-LURJTMIESA-N
MW201.06 g/mol
LogP2.50
Rot. Bonds1

About (1S)-1-(2-bromophenyl)ethanol

(1S)-1-(2-bromophenyl)ethanol (PubChem CID 6950331) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)ethanol
PubChem CID6950331
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name(1S)-1-(2-bromophenyl)ethanol
SMILESC[C@H](O)c1ccccc1Br
InChIInChI=1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1
InChIKeyDZLZSFZSPIUINR-LURJTMIESA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2-bromophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane
CID 161226581
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
1-(2-bromophenyl)ethanethiol
CID 43124084
(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol
CID 95465505
(2-bromophenyl)-(4-propan-2-ylphenyl)methanol
CID 61083322
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986
[(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium
CID 102140054
1-(2,6-dibromophenyl)ethanol
CID 117104086
3,5-bis(2-bromophenyl)-2,6-dimethylheptan-4-one
CID 141224766
2-bromo-3-[(1R)-1-hydroxyethyl]phenol
CID 118486754
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)ethanol?
The IUPAC name of (1S)-1-(2-bromophenyl)ethanol (CID 6950331) is (1S)-1-(2-bromophenyl)ethanol.
What is the SMILES notation for (1S)-1-(2-bromophenyl)ethanol?
The canonical SMILES for (1S)-1-(2-bromophenyl)ethanol is C[C@H](O)c1ccccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)ethanol?
The InChIKey is DZLZSFZSPIUINR-LURJTMIESA-N. The full InChI is InChI=1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)ethanol?
(1S)-1-(2-bromophenyl)ethanol has a molecular weight of 201.06 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)ethanol is sourced from PubChem (CID 6950331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).