3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid

C15H13ClO4 — CID 115010470

IUPAC3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid
SMILESCc1cc2c(CCC(=O)O)c3oc(C)cc3c(Cl)c2o1
InChIInChI=1S/C15H13ClO4/c1-7-5-10-9(3-4-12(17)18)14-11(6-8(2)19-14)13(16)15(10)20-7/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKeyPIKLGHFICMHZPO-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.47
Rot. Bonds3

About 3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid

3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid (PubChem CID 115010470) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid
PubChem CID115010470
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid
SMILESCc1cc2c(CCC(=O)O)c3oc(C)cc3c(Cl)c2o1
InChIInChI=1S/C15H13ClO4/c1-7-5-10-9(3-4-12(17)18)14-11(6-8(2)19-14)13(16)15(10)20-7/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKeyPIKLGHFICMHZPO-UHFFFAOYSA-N
XLogP4.47
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)butanoic acid
CID 117461796
1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propan-2-ol
CID 115010389
1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone
CID 115010381
2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117473814
3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 59859508
3-(7-methoxy-2-methyl-1-benzofuran-4-yl)propanoic acid
CID 68629882
4-amino-4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)butanoic acid
CID 117479325
(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride
CID 117497786
2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 117484122
3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoic acid
CID 906389
3-(2-chloro-3-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117406006
3-(2,7-dimethyl-1-benzofuran-3-yl)propanoic acid
CID 83910179

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid?
The IUPAC name of 3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid (CID 115010470) is 3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid.
What is the SMILES notation for 3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid?
The canonical SMILES for 3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid is Cc1cc2c(CCC(=O)O)c3oc(C)cc3c(Cl)c2o1.
What is the InChIKey of 3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid?
The InChIKey is PIKLGHFICMHZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-7-5-10-9(3-4-12(17)18)14-11(6-8(2)19-14)13(16)15(10)20-7/h5-6H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid?
3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid has a molecular weight of 292.72 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid is sourced from PubChem (CID 115010470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).