2-(2-bromo-3-methylphenyl)propan-1-ol

C10H13BrO — CID 117329757

IUPAC2-(2-bromo-3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(C)CO)c1Br
InChIInChI=1S/C10H13BrO/c1-7-4-3-5-9(10(7)11)8(2)6-12/h3-5,8,12H,6H2,1-2H3
InChIKeyYESFABKHFRRQCC-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.85
Rot. Bonds2

About 2-(2-bromo-3-methylphenyl)propan-1-ol

2-(2-bromo-3-methylphenyl)propan-1-ol (PubChem CID 117329757) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-(2-bromo-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-bromo-3-methylphenyl)propan-1-ol
PubChem CID117329757
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name2-(2-bromo-3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(C)CO)c1Br
InChIInChI=1S/C10H13BrO/c1-7-4-3-5-9(10(7)11)8(2)6-12/h3-5,8,12H,6H2,1-2H3
InChIKeyYESFABKHFRRQCC-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromo-3-methylphenyl)propan-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

(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
CID 137495606
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol
CID 130955641
2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
CID 117401030
1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 107985814
1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
2-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 83730937
1-(2-bromo-3-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 107984697
1-(2-bromo-3-methylphenyl)-2-methylbutan-1-amine
CID 107985251
N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
CID 107984713
1-(2-bromo-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 107985156
1-(2-bromo-3-methylphenyl)but-3-yn-1-ol
CID 107985878

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(2-bromo-3-methylphenyl)propan-1-ol (CID 117329757) is 2-(2-bromo-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(2-bromo-3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(2-bromo-3-methylphenyl)propan-1-ol is Cc1cccc(C(C)CO)c1Br.
What is the InChIKey of 2-(2-bromo-3-methylphenyl)propan-1-ol?
The InChIKey is YESFABKHFRRQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-7-4-3-5-9(10(7)11)8(2)6-12/h3-5,8,12H,6H2,1-2H3.
What are the key properties of 2-(2-bromo-3-methylphenyl)propan-1-ol?
2-(2-bromo-3-methylphenyl)propan-1-ol has a molecular weight of 229.12 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 117329757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).