3-methoxy-1-thiophen-2-ylbutan-2-ol

C9H14O2S — CID 79616428

IUPAC3-methoxy-1-thiophen-2-ylbutan-2-ol
SMILESCOC(C)C(O)Cc1cccs1
InChIInChI=1S/C9H14O2S/c1-7(11-2)9(10)6-8-4-3-5-12-8/h3-5,7,9-10H,6H2,1-2H3
InChIKeyNVJDCJMJQHWATK-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.69
Rot. Bonds4

About 3-methoxy-1-thiophen-2-ylbutan-2-ol

3-methoxy-1-thiophen-2-ylbutan-2-ol (PubChem CID 79616428) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-methoxy-1-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-thiophen-2-ylbutan-2-ol
PubChem CID79616428
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name3-methoxy-1-thiophen-2-ylbutan-2-ol
SMILESCOC(C)C(O)Cc1cccs1
InChIInChI=1S/C9H14O2S/c1-7(11-2)9(10)6-8-4-3-5-12-8/h3-5,7,9-10H,6H2,1-2H3
InChIKeyNVJDCJMJQHWATK-UHFFFAOYSA-N
XLogP1.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4-methylpentyl)thiophene
CID 56988379
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
1-phenyl-3-thiophen-2-ylpropane-1,2-diol
CID 103459541
1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine
CID 79492317
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
1-(diethylamino)-3-thiophen-2-ylpropan-2-ol
CID 121219027
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
1-butan-2-ylsulfanyl-3-thiophen-2-ylpropan-2-ol
CID 65136233
3-phenyl-1-thiophen-2-ylpentan-2-ol
CID 115785629
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
3-methoxy-1-thiophen-2-ylbutan-2-one
CID 79616178

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-thiophen-2-ylbutan-2-ol?
The IUPAC name of 3-methoxy-1-thiophen-2-ylbutan-2-ol (CID 79616428) is 3-methoxy-1-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 3-methoxy-1-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 3-methoxy-1-thiophen-2-ylbutan-2-ol is COC(C)C(O)Cc1cccs1.
What is the InChIKey of 3-methoxy-1-thiophen-2-ylbutan-2-ol?
The InChIKey is NVJDCJMJQHWATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-7(11-2)9(10)6-8-4-3-5-12-8/h3-5,7,9-10H,6H2,1-2H3.
What are the key properties of 3-methoxy-1-thiophen-2-ylbutan-2-ol?
3-methoxy-1-thiophen-2-ylbutan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 79616428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).