1-benzothiophen-2-yl-(4-methoxyphenyl)methanone

C16H12O2S — CID 61407105

IUPAC1-benzothiophen-2-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C16H12O2S/c1-18-13-8-6-11(7-9-13)16(17)15-10-12-4-2-3-5-14(12)19-15/h2-10H,1H3
InChIKeyGRKXLICLJHXCKX-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.14
Rot. Bonds3

About 1-benzothiophen-2-yl-(4-methoxyphenyl)methanone

1-benzothiophen-2-yl-(4-methoxyphenyl)methanone (PubChem CID 61407105) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(4-methoxyphenyl)methanone
PubChem CID61407105
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name1-benzothiophen-2-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C16H12O2S/c1-18-13-8-6-11(7-9-13)16(17)15-10-12-4-2-3-5-14(12)19-15/h2-10H,1H3
InChIKeyGRKXLICLJHXCKX-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(4-methoxyphenyl)methanone (CID 61407105) is 1-benzothiophen-2-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc3ccccc3s2)cc1.
What is the InChIKey of 1-benzothiophen-2-yl-(4-methoxyphenyl)methanone?
The InChIKey is GRKXLICLJHXCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c1-18-13-8-6-11(7-9-13)16(17)15-10-12-4-2-3-5-14(12)19-15/h2-10H,1H3.
What are the key properties of 1-benzothiophen-2-yl-(4-methoxyphenyl)methanone?
1-benzothiophen-2-yl-(4-methoxyphenyl)methanone has a molecular weight of 268.34 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 61407105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).