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

C18H20O4 — CID 117484122

IUPAC2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid
SMILESCc1cc2c(CC(C)(C)C(=O)O)c3oc(C)cc3c(C)c2o1
InChIInChI=1S/C18H20O4/c1-9-6-12-11(3)15-13(7-10(2)21-15)14(16(12)22-9)8-18(4,5)17(19)20/h6-7H,8H2,1-5H3,(H,19,20)
InChIKeyJOASBCWOOSBDRH-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.76
Rot. Bonds3

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

2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid (PubChem CID 117484122) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid
PubChem CID117484122
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid
SMILESCc1cc2c(CC(C)(C)C(=O)O)c3oc(C)cc3c(C)c2o1
InChIInChI=1S/C18H20O4/c1-9-6-12-11(3)15-13(7-10(2)21-15)14(16(12)22-9)8-18(4,5)17(19)20/h6-7H,8H2,1-5H3,(H,19,20)
InChIKeyJOASBCWOOSBDRH-UHFFFAOYSA-N
XLogP4.76
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid (CID 117484122) is 2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid is Cc1cc2c(CC(C)(C)C(=O)O)c3oc(C)cc3c(C)c2o1.
What is the InChIKey of 2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid?
The InChIKey is JOASBCWOOSBDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-9-6-12-11(3)15-13(7-10(2)21-15)14(16(12)22-9)8-18(4,5)17(19)20/h6-7H,8H2,1-5H3,(H,19,20).
What are the key properties of 2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid?
2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid has a molecular weight of 300.35 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid is sourced from PubChem (CID 117484122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).