3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid

C11H10O4 — CID 84620641

IUPAC3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid
SMILESCc1cc(C)c2c(O)c(C(=O)O)oc2c1
InChIInChI=1S/C11H10O4/c1-5-3-6(2)8-7(4-5)15-10(9(8)12)11(13)14/h3-4,12H,1-2H3,(H,13,14)
InChIKeyYCFJAHZVQIDMSX-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.45
Rot. Bonds1

About 3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid

3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid (PubChem CID 84620641) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid
PubChem CID84620641
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid
SMILESCc1cc(C)c2c(O)c(C(=O)O)oc2c1
InChIInChI=1S/C11H10O4/c1-5-3-6(2)8-7(4-5)15-10(9(8)12)11(13)14/h3-4,12H,1-2H3,(H,13,14)
InChIKeyYCFJAHZVQIDMSX-UHFFFAOYSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4,6-dimethyl-1-benzofuran-2-carboxylic acid
CID 141393833
2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 4904344
3-(4-chlorophenyl)-5,7-dimethyl-2-benzofuran-1-carboxylic acid
CID 67797500
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
CID 1413436
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909
6-methyl-3-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 21450597
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 852703
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
3-tert-butyl-5,7-dimethyl-1-benzofuran-2-carboxylic acid
CID 55068543
3-methyl-5-[(2,3,5-trimethylphenoxy)methyl]furan-2-carboxylic acid
CID 43620802
4-(azepan-1-ylmethyl)-5,7-dimethylchromen-2-one
CID 17250960

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid (CID 84620641) is 3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid is Cc1cc(C)c2c(O)c(C(=O)O)oc2c1.
What is the InChIKey of 3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid?
The InChIKey is YCFJAHZVQIDMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-5-3-6(2)8-7(4-5)15-10(9(8)12)11(13)14/h3-4,12H,1-2H3,(H,13,14).
What are the key properties of 3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid?
3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,6-dimethyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 84620641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).