1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol

C10H15ClOS — CID 103407802

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
SMILESCc1csc(C(O)CC(C)C)c1Cl
InChIInChI=1S/C10H15ClOS/c1-6(2)4-8(12)10-9(11)7(3)5-13-10/h5-6,8,12H,4H2,1-3H3
InChIKeyVRWKVIPSFAUMMO-UHFFFAOYSA-N
MW218.75 g/mol
LogP3.79
Rot. Bonds3

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

1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol (PubChem CID 103407802) has the molecular formula C10H15ClOS and a molecular weight of 218.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
PubChem CID103407802
Molecular FormulaC10H15ClOS
Molecular Weight218.75 g/mol
Exact Mass218.05
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
SMILESCc1csc(C(O)CC(C)C)c1Cl
InChIInChI=1S/C10H15ClOS/c1-6(2)4-8(12)10-9(11)7(3)5-13-10/h5-6,8,12H,4H2,1-3H3
InChIKeyVRWKVIPSFAUMMO-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol
CID 103408155
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbut-3-en-1-ol
CID 103408113
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
CID 103407894
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
CID 103407933
2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103407934
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065771
1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol
CID 103408220
1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol
CID 103408117
1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol
CID 103408273

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol (CID 103407802) is 1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol is Cc1csc(C(O)CC(C)C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol?
The InChIKey is VRWKVIPSFAUMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClOS/c1-6(2)4-8(12)10-9(11)7(3)5-13-10/h5-6,8,12H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol?
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol has a molecular weight of 218.75 g/mol, XLogP of 3.79, 3 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)-3-methylbutan-1-ol is sourced from PubChem (CID 103407802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).