1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol

C10H15ClO2S — CID 103408155

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol
SMILESCc1csc(C(O)COC(C)C)c1Cl
InChIInChI=1S/C10H15ClO2S/c1-6(2)13-4-8(12)10-9(11)7(3)5-14-10/h5-6,8,12H,4H2,1-3H3
InChIKeyQWNHYMZAYYMXOZ-UHFFFAOYSA-N
MW234.75 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol

1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol (PubChem CID 103408155) has the molecular formula C10H15ClO2S and a molecular weight of 234.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol
PubChem CID103408155
Molecular FormulaC10H15ClO2S
Molecular Weight234.75 g/mol
Exact Mass234.05
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol
SMILESCc1csc(C(O)COC(C)C)c1Cl
InChIInChI=1S/C10H15ClO2S/c1-6(2)13-4-8(12)10-9(11)7(3)5-14-10/h5-6,8,12H,4H2,1-3H3
InChIKeyQWNHYMZAYYMXOZ-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
CID 103407933
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)-4-methoxy-2-methylbutan-1-ol
CID 103408273
2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103407934
1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol
CID 115821571
1-(3-chloro-4-methylthiophen-2-yl)-2-methylbutan-1-amine
CID 103406871
1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol
CID 103408220

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol (CID 103408155) is 1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol is Cc1csc(C(O)COC(C)C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol?
The InChIKey is QWNHYMZAYYMXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2S/c1-6(2)13-4-8(12)10-9(11)7(3)5-14-10/h5-6,8,12H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol?
1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol has a molecular weight of 234.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 103408155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).