1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone

C16H12O3S — CID 10978965

IUPAC1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone
SMILESCC(=O)c1cc(-c2cc3ccc(O)cc3s2)ccc1O
InChIInChI=1S/C16H12O3S/c1-9(17)13-6-10(3-5-14(13)19)15-7-11-2-4-12(18)8-16(11)20-15/h2-8,18-19H,1H3
InChIKeyOMWHRKOJZOAICL-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.18
Rot. Bonds2

About 1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone

1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone (PubChem CID 10978965) has the molecular formula C16H12O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone
PubChem CID10978965
Molecular FormulaC16H12O3S
Molecular Weight284.34 g/mol
Exact Mass284.05
IUPAC Name1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone
SMILESCC(=O)c1cc(-c2cc3ccc(O)cc3s2)ccc1O
InChIInChI=1S/C16H12O3S/c1-9(17)13-6-10(3-5-14(13)19)15-7-11-2-4-12(18)8-16(11)20-15/h2-8,18-19H,1H3
InChIKeyOMWHRKOJZOAICL-UHFFFAOYSA-N
XLogP4.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone (CID 10978965) is 1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone is CC(=O)c1cc(-c2cc3ccc(O)cc3s2)ccc1O.
What is the InChIKey of 1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone?
The InChIKey is OMWHRKOJZOAICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3S/c1-9(17)13-6-10(3-5-14(13)19)15-7-11-2-4-12(18)8-16(11)20-15/h2-8,18-19H,1H3.
What are the key properties of 1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone?
1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone has a molecular weight of 284.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethanone is sourced from PubChem (CID 10978965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).