(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride

C11H11ClO5S — CID 117469726

IUPAC(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C11H11ClO5S/c12-18(14,15)5-8-6-1-3-17-11(6)9(13)7-2-4-16-10(7)8/h13H,1-5H2
InChIKeyONNQIUAGGMAWST-UHFFFAOYSA-N
MW290.72 g/mol
LogP1.33
Rot. Bonds2

About (4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride

(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride (PubChem CID 117469726) has the molecular formula C11H11ClO5S and a molecular weight of 290.72 g/mol. Its IUPAC name is (4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride
PubChem CID117469726
Molecular FormulaC11H11ClO5S
Molecular Weight290.72 g/mol
Exact Mass290.00
IUPAC Name(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C11H11ClO5S/c12-18(14,15)5-8-6-1-3-17-11(6)9(13)7-2-4-16-10(7)8/h13H,1-5H2
InChIKeyONNQIUAGGMAWST-UHFFFAOYSA-N
XLogP1.33
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117344271
8-(2-hydroxyethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117317683
8-(2-aminopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117342172
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride
CID 84807123
8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117407341
10-(isocyanatomethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
CID 117406838
4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid
CID 117447611
3-amino-2-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 117416727
2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
CID 83885874
1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid
CID 117409785
(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117411462
2,3,6,7-tetrahydrofuro[3,2-g][1]benzofuran-4-sulfonyl chloride
CID 84710258

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride?
The IUPAC name of (4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride (CID 117469726) is (4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride.
What is the SMILES notation for (4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride?
The canonical SMILES for (4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1c2c(c(O)c3c1OCC3)OCC2.
What is the InChIKey of (4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride?
The InChIKey is ONNQIUAGGMAWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO5S/c12-18(14,15)5-8-6-1-3-17-11(6)9(13)7-2-4-16-10(7)8/h13H,1-5H2.
What are the key properties of (4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride?
(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride has a molecular weight of 290.72 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride is sourced from PubChem (CID 117469726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).