2-(3-methylthiophen-2-yl)pent-4-en-2-ol

C10H14OS — CID 79734594

IUPAC2-(3-methylthiophen-2-yl)pent-4-en-2-ol
SMILESC=CCC(C)(O)c1sccc1C
InChIInChI=1S/C10H14OS/c1-4-6-10(3,11)9-8(2)5-7-12-9/h4-5,7,11H,1,6H2,2-3H3
InChIKeyUOAGYXRWJJMESF-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.84
Rot. Bonds3

About 2-(3-methylthiophen-2-yl)pent-4-en-2-ol

2-(3-methylthiophen-2-yl)pent-4-en-2-ol (PubChem CID 79734594) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)pent-4-en-2-ol
PubChem CID79734594
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-(3-methylthiophen-2-yl)pent-4-en-2-ol
SMILESC=CCC(C)(O)c1sccc1C
InChIInChI=1S/C10H14OS/c1-4-6-10(3,11)9-8(2)5-7-12-9/h4-5,7,11H,1,6H2,2-3H3
InChIKeyUOAGYXRWJJMESF-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-3-(3-methylthiophen-2-yl)butanenitrile
CID 79118234
1-(4-ethylphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 63990522
2-(3-methylthiophen-2-yl)-1-thiophen-3-ylpropan-2-ol
CID 65148928
1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 114931026
2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene
CID 83692596
(2S)-2-(3-methylthiophen-2-yl)butan-2-amine
CID 130055008
1-(3-methylthiophen-2-yl)-1-phenylethanol
CID 63991510
(1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol
CID 12024399
1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol
CID 79990862
2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine
CID 112565165
1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 63990708
2-(4-prop-2-enylphenyl)pent-4-en-2-ol
CID 139253933

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)pent-4-en-2-ol?
The IUPAC name of 2-(3-methylthiophen-2-yl)pent-4-en-2-ol (CID 79734594) is 2-(3-methylthiophen-2-yl)pent-4-en-2-ol.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)pent-4-en-2-ol?
The canonical SMILES for 2-(3-methylthiophen-2-yl)pent-4-en-2-ol is C=CCC(C)(O)c1sccc1C.
What is the InChIKey of 2-(3-methylthiophen-2-yl)pent-4-en-2-ol?
The InChIKey is UOAGYXRWJJMESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-4-6-10(3,11)9-8(2)5-7-12-9/h4-5,7,11H,1,6H2,2-3H3.
What are the key properties of 2-(3-methylthiophen-2-yl)pent-4-en-2-ol?
2-(3-methylthiophen-2-yl)pent-4-en-2-ol has a molecular weight of 182.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)pent-4-en-2-ol is sourced from PubChem (CID 79734594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).