2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol

C15H14O2S — CID 115781069

IUPAC2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(O)Cc2csc3ccccc23)co1
InChIInChI=1S/C15H14O2S/c1-10-6-11(8-17-10)14(16)7-12-9-18-15-5-3-2-4-13(12)15/h2-6,8-9,14,16H,7H2,1H3
InChIKeyJZGVHDXSOLOUSR-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.08
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol

2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol (PubChem CID 115781069) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol
PubChem CID115781069
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(O)Cc2csc3ccccc23)co1
InChIInChI=1S/C15H14O2S/c1-10-6-11(8-17-10)14(16)7-12-9-18-15-5-3-2-4-13(12)15/h2-6,8-9,14,16H,7H2,1H3
InChIKeyJZGVHDXSOLOUSR-UHFFFAOYSA-N
XLogP4.08
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-2-yl)ethanol
CID 65150670
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
CID 65150146
2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol
CID 63736722
2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572658
2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol
CID 63738461
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150174
3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756762
2-(1-benzothiophen-3-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789815
5-(1-benzothiophen-3-yl)pentan-2-ol
CID 64516739

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol (CID 115781069) is 2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol is Cc1cc(C(O)Cc2csc3ccccc23)co1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol?
The InChIKey is JZGVHDXSOLOUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-10-6-11(8-17-10)14(16)7-12-9-18-15-5-3-2-4-13(12)15/h2-6,8-9,14,16H,7H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol?
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol has a molecular weight of 258.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol is sourced from PubChem (CID 115781069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).