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

C10H16O2S — CID 65146654

IUPAC4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol
SMILESCOCCC(C)(O)Cc1ccsc1
InChIInChI=1S/C10H16O2S/c1-10(11,4-5-12-2)7-9-3-6-13-8-9/h3,6,8,11H,4-5,7H2,1-2H3
InChIKeyKBWCDUKKNUTPGY-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.08
Rot. Bonds5

About 4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol

4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol (PubChem CID 65146654) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol
PubChem CID65146654
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol
SMILESCOCCC(C)(O)Cc1ccsc1
InChIInChI=1S/C10H16O2S/c1-10(11,4-5-12-2)7-9-3-6-13-8-9/h3,6,8,11H,4-5,7H2,1-2H3
InChIKeyKBWCDUKKNUTPGY-UHFFFAOYSA-N
XLogP2.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
1-(2-methoxyethylamino)-3-methyl-5-thiophen-3-ylpentan-3-ol
CID 66003686
1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol
CID 65146600
1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol
CID 24714891
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
CID 164676208
3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
CID 65146406
2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol
CID 65144889
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
CID 79453790
1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 126852195
2-(3-methylthiophen-2-yl)-1-thiophen-3-ylpropan-2-ol
CID 65148928

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol (CID 65146654) is 4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol is COCCC(C)(O)Cc1ccsc1.
What is the InChIKey of 4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol?
The InChIKey is KBWCDUKKNUTPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-10(11,4-5-12-2)7-9-3-6-13-8-9/h3,6,8,11H,4-5,7H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol?
4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol has a molecular weight of 200.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 65146654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).