1-(5-methylthiophen-2-yl)propan-2-ol

C8H12OS — CID 13111508

IUPAC1-(5-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccc(CC(C)O)s1
InChIInChI=1S/C8H12OS/c1-6(9)5-8-4-3-7(2)10-8/h3-4,6,9H,5H2,1-2H3
InChIKeyIHDYOFRFLFTDMP-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.98
Rot. Bonds2

About 1-(5-methylthiophen-2-yl)propan-2-ol

1-(5-methylthiophen-2-yl)propan-2-ol (PubChem CID 13111508) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)propan-2-ol
PubChem CID13111508
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name1-(5-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccc(CC(C)O)s1
InChIInChI=1S/C8H12OS/c1-6(9)5-8-4-3-7(2)10-8/h3-4,6,9H,5H2,1-2H3
InChIKeyIHDYOFRFLFTDMP-UHFFFAOYSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698
2-methyl-5-(2-methylbutyl)thiophene
CID 88977809
1-[2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091227
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine
CID 103390068
(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 96500046
1-(2-amino-3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)ethanol
CID 174563198
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
[(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium
CID 7458609
1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 24713261
(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79012678
4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 111448862
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(5-methylthiophen-2-yl)propan-2-ol (CID 13111508) is 1-(5-methylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(5-methylthiophen-2-yl)propan-2-ol is Cc1ccc(CC(C)O)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)propan-2-ol?
The InChIKey is IHDYOFRFLFTDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-6(9)5-8-4-3-7(2)10-8/h3-4,6,9H,5H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)propan-2-ol?
1-(5-methylthiophen-2-yl)propan-2-ol has a molecular weight of 156.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 13111508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).