1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one

C18H16OS — CID 146932608

IUPAC1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one
SMILESCc1ccccc1CC(=O)Cc1cc2ccccc2s1
InChIInChI=1S/C18H16OS/c1-13-6-2-3-7-14(13)10-16(19)12-17-11-15-8-4-5-9-18(15)20-17/h2-9,11H,10,12H2,1H3
InChIKeyAFHYYAGNWUGPHR-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.56
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one

1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one (PubChem CID 146932608) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one
PubChem CID146932608
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one
SMILESCc1ccccc1CC(=O)Cc1cc2ccccc2s1
InChIInChI=1S/C18H16OS/c1-13-6-2-3-7-14(13)10-16(19)12-17-11-15-8-4-5-9-18(15)20-17/h2-9,11H,10,12H2,1H3
InChIKeyAFHYYAGNWUGPHR-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one (CID 146932608) is 1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one is Cc1ccccc1CC(=O)Cc1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one?
The InChIKey is AFHYYAGNWUGPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c1-13-6-2-3-7-14(13)10-16(19)12-17-11-15-8-4-5-9-18(15)20-17/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one?
1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one has a molecular weight of 280.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-(2-methylphenyl)propan-2-one is sourced from PubChem (CID 146932608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).