sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride

C17H15NaO2S — CID 173047029

IUPACsodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride
SMILESCOc1cc(O)cc(C=Cc2cc3ccccc3s2)c1.[H-].[Na+]
InChIInChI=1S/C17H14O2S.Na.H/c1-19-15-9-12(8-14(18)11-15)6-7-16-10-13-4-2-3-5-17(13)20-16;;/h2-11,18H,1H3;;/q;+1;-1
InChIKeyOVXQXFJETMPBJW-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.90
Rot. Bonds3

About sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride

sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride (PubChem CID 173047029) has the molecular formula C17H15NaO2S and a molecular weight of 306.36 g/mol. Its IUPAC name is sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride.

Molecular Properties

Compound Namesodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride
PubChem CID173047029
Molecular FormulaC17H15NaO2S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Namesodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride
SMILESCOc1cc(O)cc(C=Cc2cc3ccccc3s2)c1.[H-].[Na+]
InChIInChI=1S/C17H14O2S.Na.H/c1-19-15-9-12(8-14(18)11-15)6-7-16-10-13-4-2-3-5-17(13)20-16;;/h2-11,18H,1H3;;/q;+1;-1
InChIKeyOVXQXFJETMPBJW-UHFFFAOYSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride?
The IUPAC name of sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride (CID 173047029) is sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride.
What is the SMILES notation for sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride?
The canonical SMILES for sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride is COc1cc(O)cc(C=Cc2cc3ccccc3s2)c1.[H-].[Na+].
What is the InChIKey of sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride?
The InChIKey is OVXQXFJETMPBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S.Na.H/c1-19-15-9-12(8-14(18)11-15)6-7-16-10-13-4-2-3-5-17(13)20-16;;/h2-11,18H,1H3;;/q;+1;-1.
What are the key properties of sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride?
sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride has a molecular weight of 306.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride is sourced from PubChem (CID 173047029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).