[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone

C26H18O2S — CID 134131733

IUPAC[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone
SMILESCOc1ccc(-c2sc3ccccc3c2C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H18O2S/c1-28-19-15-13-18(14-16-19)26-24(22-10-4-5-12-23(22)29-26)25(27)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
InChIKeyFAXHAJATTGMJBR-UHFFFAOYSA-N
MW394.50 g/mol
LogP6.96
Rot. Bonds4

About [2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone

[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone (PubChem CID 134131733) has the molecular formula C26H18O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone
PubChem CID134131733
Molecular FormulaC26H18O2S
Molecular Weight394.50 g/mol
Exact Mass394.10
IUPAC Name[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone
SMILESCOc1ccc(-c2sc3ccccc3c2C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H18O2S/c1-28-19-15-13-18(14-16-19)26-24(22-10-4-5-12-23(22)29-26)25(27)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
InChIKeyFAXHAJATTGMJBR-UHFFFAOYSA-N
XLogP6.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone (CID 134131733) is [2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone is COc1ccc(-c2sc3ccccc3c2C(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is FAXHAJATTGMJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2S/c1-28-19-15-13-18(14-16-19)26-24(22-10-4-5-12-23(22)29-26)25(27)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3.
What are the key properties of [2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone?
[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 394.50 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 134131733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).