1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone

C15H13ClO2S — CID 90196018

IUPAC1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(Cl)c3c(c2)CC(C)O3)s1
InChIInChI=1S/C15H13ClO2S/c1-8-5-11-6-10(7-12(16)15(11)18-8)14-4-3-13(19-14)9(2)17/h3-4,6-8H,5H2,1-2H3
InChIKeyHCWZEGLVSGEXDL-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.59
Rot. Bonds2

About 1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone

1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone (PubChem CID 90196018) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone
PubChem CID90196018
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(Cl)c3c(c2)CC(C)O3)s1
InChIInChI=1S/C15H13ClO2S/c1-8-5-11-6-10(7-12(16)15(11)18-8)14-4-3-13(19-14)9(2)17/h3-4,6-8H,5H2,1-2H3
InChIKeyHCWZEGLVSGEXDL-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone (CID 90196018) is 1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cc(Cl)c3c(c2)CC(C)O3)s1.
What is the InChIKey of 1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone?
The InChIKey is HCWZEGLVSGEXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-8-5-11-6-10(7-12(16)15(11)18-8)14-4-3-13(19-14)9(2)17/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone?
1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone has a molecular weight of 292.79 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 90196018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).