[2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone

C23H20OS — CID 134143262

IUPAC[2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone
SMILESCC(C)Cc1sc2ccccc2c1C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H20OS/c1-15(2)14-21-22(19-11-5-6-13-20(19)25-21)23(24)18-12-7-9-16-8-3-4-10-17(16)18/h3-13,15H,14H2,1-2H3
InChIKeyUPTNLTUDMBVVFL-UHFFFAOYSA-N
MW344.48 g/mol
LogP6.48
Rot. Bonds4

About [2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone

[2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone (PubChem CID 134143262) has the molecular formula C23H20OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone
PubChem CID134143262
Molecular FormulaC23H20OS
Molecular Weight344.48 g/mol
Exact Mass344.12
IUPAC Name[2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone
SMILESCC(C)Cc1sc2ccccc2c1C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H20OS/c1-15(2)14-21-22(19-11-5-6-13-20(19)25-21)23(24)18-12-7-9-16-8-3-4-10-17(16)18/h3-13,15H,14H2,1-2H3
InChIKeyUPTNLTUDMBVVFL-UHFFFAOYSA-N
XLogP6.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone (CID 134143262) is [2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone is CC(C)Cc1sc2ccccc2c1C(=O)c1cccc2ccccc12.
What is the InChIKey of [2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is UPTNLTUDMBVVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20OS/c1-15(2)14-21-22(19-11-5-6-13-20(19)25-21)23(24)18-12-7-9-16-8-3-4-10-17(16)18/h3-13,15H,14H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone?
[2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 344.48 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 134143262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).