2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol

C8H11BrOS — CID 116863428

IUPAC2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(O)C(C)Br
InChIInChI=1S/C8H11BrOS/c1-5-3-4-11-8(5)7(10)6(2)9/h3-4,6-7,10H,1-2H3
InChIKeyCEHXBXXYWGDLQB-UHFFFAOYSA-N
MW235.15 g/mol
LogP2.87
Rot. Bonds2

About 2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol

2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol (PubChem CID 116863428) has the molecular formula C8H11BrOS and a molecular weight of 235.15 g/mol. Its IUPAC name is 2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
PubChem CID116863428
Molecular FormulaC8H11BrOS
Molecular Weight235.15 g/mol
Exact Mass233.97
IUPAC Name2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(O)C(C)Br
InChIInChI=1S/C8H11BrOS/c1-5-3-4-11-8(5)7(10)6(2)9/h3-4,6-7,10H,1-2H3
InChIKeyCEHXBXXYWGDLQB-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-1-(3-methylthiophen-2-yl)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

3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65187789
2-amino-1-(3-methylthiophen-2-yl)butane-1,4-diol
CID 83929127
3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116710769
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
N,3-dimethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 83831443
3-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanylbutan-2-ol
CID 107770385
3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 65148368
2-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 126973864
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol (CID 116863428) is 2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol is Cc1ccsc1C(O)C(C)Br.
What is the InChIKey of 2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol?
The InChIKey is CEHXBXXYWGDLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrOS/c1-5-3-4-11-8(5)7(10)6(2)9/h3-4,6-7,10H,1-2H3.
What are the key properties of 2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol?
2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol has a molecular weight of 235.15 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 116863428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).