1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol

C8H9ClOS — CID 115817404

IUPAC1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1sccc1Cl
InChIInChI=1S/C8H9ClOS/c1-5(2)7(10)8-6(9)3-4-11-8/h3-4,7,10H,1H2,2H3
InChIKeyDZRUPTWLJOWGCA-UHFFFAOYSA-N
MW188.68 g/mol
LogP3.01
Rot. Bonds2

About 1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol

1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol (PubChem CID 115817404) has the molecular formula C8H9ClOS and a molecular weight of 188.68 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol
PubChem CID115817404
Molecular FormulaC8H9ClOS
Molecular Weight188.68 g/mol
Exact Mass188.01
IUPAC Name1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1sccc1Cl
InChIInChI=1S/C8H9ClOS/c1-5(2)7(10)8-6(9)3-4-11-8/h3-4,7,10H,1H2,2H3
InChIKeyDZRUPTWLJOWGCA-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 53.01
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

bis(3-chlorothiophen-2-yl)methanol
CID 80642135
1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol
CID 103408117
1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol
CID 130701576
(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol
CID 130674240
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
CID 107359618
1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol
CID 80530613
1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393
3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene
CID 83148975
1-(3-chlorothiophen-2-yl)-N,3-dimethylbut-2-en-1-amine
CID 105004446
1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol
CID 83148451
1-(3-chlorothiophen-2-yl)tridecan-1-ol
CID 115789521

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol (CID 115817404) is 1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol is C=C(C)C(O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol?
The InChIKey is DZRUPTWLJOWGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOS/c1-5(2)7(10)8-6(9)3-4-11-8/h3-4,7,10H,1H2,2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol?
1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol has a molecular weight of 188.68 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 115817404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).