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

C19H18OS — CID 141370555

IUPAC3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCc2sc3ccccc3c2C)c1
InChIInChI=1S/C19H18OS/c1-13-6-5-7-15(12-13)17(20)10-11-18-14(2)16-8-3-4-9-19(16)21-18/h3-9,12H,10-11H2,1-2H3
InChIKeyQNWUNSSIWWCRSL-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.33
Rot. Bonds4

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

3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one (PubChem CID 141370555) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one
PubChem CID141370555
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCc2sc3ccccc3c2C)c1
InChIInChI=1S/C19H18OS/c1-13-6-5-7-15(12-13)17(20)10-11-18-14(2)16-8-3-4-9-19(16)21-18/h3-9,12H,10-11H2,1-2H3
InChIKeyQNWUNSSIWWCRSL-UHFFFAOYSA-N
XLogP5.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one?
The IUPAC name of 3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one (CID 141370555) is 3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one?
The canonical SMILES for 3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one is Cc1cccc(C(=O)CCc2sc3ccccc3c2C)c1.
What is the InChIKey of 3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one?
The InChIKey is QNWUNSSIWWCRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OS/c1-13-6-5-7-15(12-13)17(20)10-11-18-14(2)16-8-3-4-9-19(16)21-18/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one?
3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one has a molecular weight of 294.42 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 141370555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).