1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol

C11H12O2S — CID 114822893

IUPAC1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol
SMILESCc1cc(C(O)Cc2ccsc2)co1
InChIInChI=1S/C11H12O2S/c1-8-4-10(6-13-8)11(12)5-9-2-3-14-7-9/h2-4,6-7,11-12H,5H2,1H3
InChIKeyZWCPWFJEKSVOGN-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.93
Rot. Bonds3

About 1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol

1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol (PubChem CID 114822893) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol
PubChem CID114822893
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol
SMILESCc1cc(C(O)Cc2ccsc2)co1
InChIInChI=1S/C11H12O2S/c1-8-4-10(6-13-8)11(12)5-9-2-3-14-7-9/h2-4,6-7,11-12H,5H2,1H3
InChIKeyZWCPWFJEKSVOGN-UHFFFAOYSA-N
XLogP2.93
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
1-(4-bromo-3-methylphenyl)-2-thiophen-3-ylethanol
CID 81446687
2-(3-chlorophenyl)-1-(5-methylfuran-3-yl)ethanol
CID 114822934
1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol
CID 65151020
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol
CID 115781069
1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol
CID 63016718
1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 65148445
1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-3-ylethanol
CID 65149672

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol (CID 114822893) is 1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol is Cc1cc(C(O)Cc2ccsc2)co1.
What is the InChIKey of 1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol?
The InChIKey is ZWCPWFJEKSVOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-8-4-10(6-13-8)11(12)5-9-2-3-14-7-9/h2-4,6-7,11-12H,5H2,1H3.
What are the key properties of 1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol?
1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol has a molecular weight of 208.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 114822893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).