1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol

C9H11ClOS — CID 103408117

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1scc(C)c1Cl
InChIInChI=1S/C9H11ClOS/c1-5(2)8(11)9-7(10)6(3)4-12-9/h4,8,11H,1H2,2-3H3
InChIKeyQDTPGDSSGHIEKK-UHFFFAOYSA-N
MW202.71 g/mol
LogP3.32
Rot. Bonds2

About 1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol

1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol (PubChem CID 103408117) has the molecular formula C9H11ClOS and a molecular weight of 202.71 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol
PubChem CID103408117
Molecular FormulaC9H11ClOS
Molecular Weight202.71 g/mol
Exact Mass202.02
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1scc(C)c1Cl
InChIInChI=1S/C9H11ClOS/c1-5(2)8(11)9-7(10)6(3)4-12-9/h4,8,11H,1H2,2-3H3
InChIKeyQDTPGDSSGHIEKK-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-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-(3-chloro-4-methylthiophen-2-yl)-3-methylbut-3-en-1-ol
CID 103408113
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 103406586
1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol
CID 115817404
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
CID 103407894
1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol
CID 103408155
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
CID 103407933
2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol
CID 103406633
1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine
CID 103406500

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol (CID 103408117) is 1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol is C=C(C)C(O)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol?
The InChIKey is QDTPGDSSGHIEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClOS/c1-5(2)8(11)9-7(10)6(3)4-12-9/h4,8,11H,1H2,2-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol?
1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol has a molecular weight of 202.71 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 103408117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).