1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol

C8H11BrO2S — CID 62606170

IUPAC1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1cc(Br)cs1
InChIInChI=1S/C8H11BrO2S/c1-11-4-7(10)3-8-2-6(9)5-12-8/h2,5,7,10H,3-4H2,1H3
InChIKeyKVGKHHPQFJAJJG-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.06
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol

1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol (PubChem CID 62606170) has the molecular formula C8H11BrO2S and a molecular weight of 251.14 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
PubChem CID62606170
Molecular FormulaC8H11BrO2S
Molecular Weight251.14 g/mol
Exact Mass249.97
IUPAC Name1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1cc(Br)cs1
InChIInChI=1S/C8H11BrO2S/c1-11-4-7(10)3-8-2-6(9)5-12-8/h2,5,7,10H,3-4H2,1H3
InChIKeyKVGKHHPQFJAJJG-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-2-yl)-3-methoxypropan-2-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

1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol
CID 65130914
1-(4-bromothiophen-2-yl)-4,5,5-trimethylhexan-2-ol
CID 115790391
1-(4-bromothiophen-2-yl)undecan-2-ol
CID 115790163
[1-(4-bromothiophen-2-yl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105299395
1-(4-bromothiophen-2-yl)-3-propylsulfanylpropan-2-ol
CID 65129830
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710510
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
CID 104610489
1-(4-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-ol
CID 116752512
3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756868
4-(4-bromothiophen-2-yl)-2,3-dimethylbutan-1-amine
CID 81009780
methyl 2-[(4-bromothiophen-2-yl)methyl]butanoate
CID 116931314

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol (CID 62606170) is 1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol is COCC(O)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol?
The InChIKey is KVGKHHPQFJAJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2S/c1-11-4-7(10)3-8-2-6(9)5-12-8/h2,5,7,10H,3-4H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol?
1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol has a molecular weight of 251.14 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 62606170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).