3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid

C9H11BrO3S — CID 130645620

IUPAC3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid
SMILESCc1cc(C(O)C(C)C(=O)O)sc1Br
InChIInChI=1S/C9H11BrO3S/c1-4-3-6(14-8(4)10)7(11)5(2)9(12)13/h3,5,7,11H,1-2H3,(H,12,13)
InChIKeyLQLYWESZXNBXMI-UHFFFAOYSA-N
MW279.16 g/mol
LogP2.57
Rot. Bonds3

About 3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid

3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid (PubChem CID 130645620) has the molecular formula C9H11BrO3S and a molecular weight of 279.16 g/mol. Its IUPAC name is 3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid
PubChem CID130645620
Molecular FormulaC9H11BrO3S
Molecular Weight279.16 g/mol
Exact Mass277.96
IUPAC Name3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid
SMILESCc1cc(C(O)C(C)C(=O)O)sc1Br
InChIInChI=1S/C9H11BrO3S/c1-4-3-6(14-8(4)10)7(11)5(2)9(12)13/h3,5,7,11H,1-2H3,(H,12,13)
InChIKeyLQLYWESZXNBXMI-UHFFFAOYSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid 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-bromo-5-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 79991257
2-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-3,6-dimethylbenzoic acid
CID 103430669
1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol
CID 115814756
(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 79996997
2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene
CID 103514612
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 79987643
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
CID 79998991
(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methanol
CID 107964321
2-[1-[2-(5-bromo-4-methylthiophen-2-yl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 79992425
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol
CID 79991365
methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate
CID 79991245

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid (CID 130645620) is 3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid is Cc1cc(C(O)C(C)C(=O)O)sc1Br.
What is the InChIKey of 3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid?
The InChIKey is LQLYWESZXNBXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3S/c1-4-3-6(14-8(4)10)7(11)5(2)9(12)13/h3,5,7,11H,1-2H3,(H,12,13).
What are the key properties of 3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid?
3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid has a molecular weight of 279.16 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methylthiophen-2-yl)-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 130645620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).