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

C8H12OS — CID 55267212

IUPAC3-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1CCCO
InChIInChI=1S/C8H12OS/c1-7-4-6-10-8(7)3-2-5-9/h4,6,9H,2-3,5H2,1H3
InChIKeyBJFLSXVTUNGWQH-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.98
Rot. Bonds3

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

3-(3-methylthiophen-2-yl)propan-1-ol (PubChem CID 55267212) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)propan-1-ol
PubChem CID55267212
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name3-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1CCCO
InChIInChI=1S/C8H12OS/c1-7-4-6-10-8(7)3-2-5-9/h4,6,9H,2-3,5H2,1H3
InChIKeyBJFLSXVTUNGWQH-UHFFFAOYSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-(3-bromopropyl)-3-methylthiophene
CID 19688419
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
2-hexyl-3-methylthiophene
CID 69043695
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115882869
CID 172777676
CID 172777676
3-(3-chlorothiophen-2-yl)propan-1-ol
CID 55266094
2-(3-methylthiophen-2-yl)ethanethiol
CID 55274895
1-(3-methylthiophen-2-yl)heptan-4-one
CID 83929160
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
4-[cyclopropyl-[(3-methylthiophen-2-yl)methyl]amino]butan-1-ol
CID 115882968
3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol
CID 115122472

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-(3-methylthiophen-2-yl)propan-1-ol (CID 55267212) is 3-(3-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-(3-methylthiophen-2-yl)propan-1-ol is Cc1ccsc1CCCO.
What is the InChIKey of 3-(3-methylthiophen-2-yl)propan-1-ol?
The InChIKey is BJFLSXVTUNGWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-7-4-6-10-8(7)3-2-5-9/h4,6,9H,2-3,5H2,1H3.
What are the key properties of 3-(3-methylthiophen-2-yl)propan-1-ol?
3-(3-methylthiophen-2-yl)propan-1-ol has a molecular weight of 156.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 55267212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).