(2R)-2-(4-bromophenyl)butan-1-ol

C10H13BrO — CID 59315157

IUPAC(2R)-2-(4-bromophenyl)butan-1-ol
SMILESCC[C@@H](CO)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrO/c1-2-8(7-12)9-3-5-10(11)6-4-9/h3-6,8,12H,2,7H2,1H3/t8-/m0/s1
InChIKeyANDPTZHWILNUGZ-QMMMGPOBSA-N
MW229.12 g/mol
LogP2.93
Rot. Bonds3

About (2R)-2-(4-bromophenyl)butan-1-ol

(2R)-2-(4-bromophenyl)butan-1-ol (PubChem CID 59315157) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)butan-1-ol
PubChem CID59315157
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name(2R)-2-(4-bromophenyl)butan-1-ol
SMILESCC[C@@H](CO)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrO/c1-2-8(7-12)9-3-5-10(11)6-4-9/h3-6,8,12H,2,7H2,1H3/t8-/m0/s1
InChIKeyANDPTZHWILNUGZ-QMMMGPOBSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-(4-bromophenyl)butan-1-ol 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

2-(4-bromophenyl)-3-sulfanylpropan-1-ol
CID 117245035
2-(4-bromophenyl)-5,5-dimethylhexan-1-ol
CID 79437377
1-(4-bromophenyl)propane-1-thiol
CID 43124141
[2-(4-bromophenyl)-3-hydroxypropyl] acetate
CID 66718437
2-(4-bromophenyl)-6-methoxyhexan-1-ol
CID 104650630
(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
CID 102486648
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
2-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-1-ol
CID 79437810
1-bromo-4-(1-chloropropyl)benzene
CID 43114960
[(1S)-1-(4-bromophenyl)propyl]azanium
CID 7127716
2-(4-ethylphenyl)propane-1,3-diol
CID 14527849

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)butan-1-ol?
The IUPAC name of (2R)-2-(4-bromophenyl)butan-1-ol (CID 59315157) is (2R)-2-(4-bromophenyl)butan-1-ol.
What is the SMILES notation for (2R)-2-(4-bromophenyl)butan-1-ol?
The canonical SMILES for (2R)-2-(4-bromophenyl)butan-1-ol is CC[C@@H](CO)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)butan-1-ol?
The InChIKey is ANDPTZHWILNUGZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13BrO/c1-2-8(7-12)9-3-5-10(11)6-4-9/h3-6,8,12H,2,7H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-(4-bromophenyl)butan-1-ol?
(2R)-2-(4-bromophenyl)butan-1-ol has a molecular weight of 229.12 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)butan-1-ol is sourced from PubChem (CID 59315157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).