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

C11H17ClO2S — CID 103408273

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1scc(C)c1Cl
InChIInChI=1S/C11H17ClO2S/c1-7(4-5-14-3)10(13)11-9(12)8(2)6-15-11/h6-7,10,13H,4-5H2,1-3H3
InChIKeyHXBKROMUZRKCEK-UHFFFAOYSA-N
MW248.77 g/mol
LogP3.42
Rot. Bonds5

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

1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol (PubChem CID 103408273) has the molecular formula C11H17ClO2S and a molecular weight of 248.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol
PubChem CID103408273
Molecular FormulaC11H17ClO2S
Molecular Weight248.77 g/mol
Exact Mass248.06
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1scc(C)c1Cl
InChIInChI=1S/C11H17ClO2S/c1-7(4-5-14-3)10(13)11-9(12)8(2)6-15-11/h6-7,10,13H,4-5H2,1-3H3
InChIKeyHXBKROMUZRKCEK-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.77
LogP ≤ 53.42
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
1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol
CID 103408155
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163
1-(3-chloro-4-methylthiophen-2-yl)-2-methylbutan-1-amine
CID 103406871
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol
CID 103406633
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
CID 103407894
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol
CID 115836147
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893654
1-(3-chloro-4-methylthiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 103406873
1-(5-chloro-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-1-ol
CID 107124879

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol (CID 103408273) is 1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol is COCCC(C)C(O)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol?
The InChIKey is HXBKROMUZRKCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO2S/c1-7(4-5-14-3)10(13)11-9(12)8(2)6-15-11/h6-7,10,13H,4-5H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol?
1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol has a molecular weight of 248.77 g/mol, XLogP of 3.42, 5 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)-4-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 103408273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).