4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid

C17H18O4 — CID 117461796

IUPAC4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid
SMILESCc1cc2c(CCCC(=O)O)c3oc(C)cc3c(C)c2o1
InChIInChI=1S/C17H18O4/c1-9-7-13-11(3)16-14(8-10(2)20-16)12(17(13)21-9)5-4-6-15(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyMWTABHGLALCFMG-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.51
Rot. Bonds4

About 4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid

4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid (PubChem CID 117461796) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid
PubChem CID117461796
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid
SMILESCc1cc2c(CCCC(=O)O)c3oc(C)cc3c(C)c2o1
InChIInChI=1S/C17H18O4/c1-9-7-13-11(3)16-14(8-10(2)20-16)12(17(13)21-9)5-4-6-15(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyMWTABHGLALCFMG-UHFFFAOYSA-N
XLogP4.51
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 115010470
2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 117484122
(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride
CID 117497786
3-(7-methoxy-2-methyl-1-benzofuran-4-yl)propanoic acid
CID 68629882
3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoic acid
CID 906389
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342
4-(2-methyl-1-benzofuran-5-yl)butanoic acid
CID 83888027
3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 59859508
4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114822229
2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol
CID 117401768
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-(5,6-dimethyl-1,3-benzodioxol-4-yl)butanoic acid
CID 117344729

Frequently Asked Questions

What is the IUPAC name of 4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid?
The IUPAC name of 4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid (CID 117461796) is 4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid.
What is the SMILES notation for 4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid?
The canonical SMILES for 4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid is Cc1cc2c(CCCC(=O)O)c3oc(C)cc3c(C)c2o1.
What is the InChIKey of 4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid?
The InChIKey is MWTABHGLALCFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-9-7-13-11(3)16-14(8-10(2)20-16)12(17(13)21-9)5-4-6-15(18)19/h7-8H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid?
4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid has a molecular weight of 286.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid is sourced from PubChem (CID 117461796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).