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

C9H14O2S — CID 62606552

IUPAC4-methoxy-1-thiophen-3-ylbutan-2-ol
SMILESCOCCC(O)Cc1ccsc1
InChIInChI=1S/C9H14O2S/c1-11-4-2-9(10)6-8-3-5-12-7-8/h3,5,7,9-10H,2,4,6H2,1H3
InChIKeyNAYRDNWYQUYSOU-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.69
Rot. Bonds5

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

4-methoxy-1-thiophen-3-ylbutan-2-ol (PubChem CID 62606552) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-methoxy-1-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-methoxy-1-thiophen-3-ylbutan-2-ol
PubChem CID62606552
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name4-methoxy-1-thiophen-3-ylbutan-2-ol
SMILESCOCCC(O)Cc1ccsc1
InChIInChI=1S/C9H14O2S/c1-11-4-2-9(10)6-8-3-5-12-7-8/h3,5,7,9-10H,2,4,6H2,1H3
InChIKeyNAYRDNWYQUYSOU-UHFFFAOYSA-N
XLogP1.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
1-thiophen-3-yltetradecan-2-ol
CID 105090220
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
3-methoxy-1-thiophen-3-ylpropan-1-ol
CID 62608736
1-(3-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62608058
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
CID 105101095
4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol
CID 62607844
[4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone
CID 175080592
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-thiophen-3-ylbutan-2-ol?
The IUPAC name of 4-methoxy-1-thiophen-3-ylbutan-2-ol (CID 62606552) is 4-methoxy-1-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 4-methoxy-1-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 4-methoxy-1-thiophen-3-ylbutan-2-ol is COCCC(O)Cc1ccsc1.
What is the InChIKey of 4-methoxy-1-thiophen-3-ylbutan-2-ol?
The InChIKey is NAYRDNWYQUYSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-11-4-2-9(10)6-8-3-5-12-7-8/h3,5,7,9-10H,2,4,6H2,1H3.
What are the key properties of 4-methoxy-1-thiophen-3-ylbutan-2-ol?
4-methoxy-1-thiophen-3-ylbutan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 62606552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).