1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone

C23H18O2S — CID 24794046

IUPAC1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone
SMILESCOc1ccccc1-c1sc2ccccc2c1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C23H18O2S/c1-15(24)16-11-13-17(14-12-16)22-19-8-4-6-10-21(19)26-23(22)18-7-3-5-9-20(18)25-2/h3-14H,1-2H3
InChIKeyVUEMKLCTEOBARZ-UHFFFAOYSA-N
MW358.46 g/mol
LogP6.45
Rot. Bonds4

About 1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone

1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone (PubChem CID 24794046) has the molecular formula C23H18O2S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone
PubChem CID24794046
Molecular FormulaC23H18O2S
Molecular Weight358.46 g/mol
Exact Mass358.10
IUPAC Name1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone
SMILESCOc1ccccc1-c1sc2ccccc2c1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C23H18O2S/c1-15(24)16-11-13-17(14-12-16)22-19-8-4-6-10-21(19)26-23(22)18-7-3-5-9-20(18)25-2/h3-14H,1-2H3
InChIKeyVUEMKLCTEOBARZ-UHFFFAOYSA-N
XLogP6.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone (CID 24794046) is 1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone is COc1ccccc1-c1sc2ccccc2c1-c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone?
The InChIKey is VUEMKLCTEOBARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2S/c1-15(24)16-11-13-17(14-12-16)22-19-8-4-6-10-21(19)26-23(22)18-7-3-5-9-20(18)25-2/h3-14H,1-2H3.
What are the key properties of 1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone?
1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone has a molecular weight of 358.46 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenyl]ethanone is sourced from PubChem (CID 24794046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).