1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol

C15H14O2S — CID 114723213

IUPAC1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol
SMILESCc1cccc2cc(C(C)(O)c3cccs3)oc12
InChIInChI=1S/C15H14O2S/c1-10-5-3-6-11-9-12(17-14(10)11)15(2,16)13-7-4-8-18-13/h3-9,16H,1-2H3
InChIKeyFLVJZSXRVXAGFG-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.06
Rot. Bonds2

About 1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol

1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol (PubChem CID 114723213) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol
PubChem CID114723213
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol
SMILESCc1cccc2cc(C(C)(O)c3cccs3)oc12
InChIInChI=1S/C15H14O2S/c1-10-5-3-6-11-9-12(17-14(10)11)15(2,16)13-7-4-8-18-13/h3-9,16H,1-2H3
InChIKeyFLVJZSXRVXAGFG-UHFFFAOYSA-N
XLogP4.06
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol (CID 114723213) is 1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol is Cc1cccc2cc(C(C)(O)c3cccs3)oc12.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol?
The InChIKey is FLVJZSXRVXAGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-10-5-3-6-11-9-12(17-14(10)11)15(2,16)13-7-4-8-18-13/h3-9,16H,1-2H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol?
1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol has a molecular weight of 258.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-benzofuran-2-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 114723213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).