6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid

C16H18O5 — CID 22026149

IUPAC6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid
SMILESCc1c(OC2CCCCO2)cc2cc(C(=O)O)oc2c1C
InChIInChI=1S/C16H18O5/c1-9-10(2)15-11(8-13(21-15)16(17)18)7-12(9)20-14-5-3-4-6-19-14/h7-8,14H,3-6H2,1-2H3,(H,17,18)
InChIKeyQNHQGQNIGYKASG-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.65
Rot. Bonds3

About 6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid

6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid (PubChem CID 22026149) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is 6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid
PubChem CID22026149
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid
SMILESCc1c(OC2CCCCO2)cc2cc(C(=O)O)oc2c1C
InChIInChI=1S/C16H18O5/c1-9-10(2)15-11(8-13(21-15)16(17)18)7-12(9)20-14-5-3-4-6-19-14/h7-8,14H,3-6H2,1-2H3,(H,17,18)
InChIKeyQNHQGQNIGYKASG-UHFFFAOYSA-N
XLogP3.65
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-formyl-2,3-dimethyl-4-(oxan-2-yloxy)phenoxy]acetic acid
CID 22026145
[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
CID 25242206
1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
CID 58975274
2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane
CID 15701095
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
4-(oxan-2-yloxy)benzoic acid
CID 11183645
2-(2,5-dimethylphenoxy)oxane
CID 15305690
methane;methyl 6-(oxan-2-yloxy)naphthalene-2-carboxylate;6-(oxan-2-yloxy)naphthalene-2-carboxylic acid
CID 162250703
tris(oxan-2-yl) benzene-1,3,5-tricarboxylate
CID 139603181
8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one
CID 86651374
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
methyl 3-methyl-2-methylsulfonyloxy-4-(oxan-2-yloxy)benzoate
CID 101021627

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid (CID 22026149) is 6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid is Cc1c(OC2CCCCO2)cc2cc(C(=O)O)oc2c1C.
What is the InChIKey of 6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid?
The InChIKey is QNHQGQNIGYKASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-9-10(2)15-11(8-13(21-15)16(17)18)7-12(9)20-14-5-3-4-6-19-14/h7-8,14H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid?
6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid has a molecular weight of 290.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 22026149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).