7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid

C11H12O4 — CID 22733997

IUPAC7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2c1OCC2C
InChIInChI=1S/C11H12O4/c1-6-5-15-10-8(14-2)4-3-7(9(6)10)11(12)13/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyAIJAMWGKYDJMNA-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.89
Rot. Bonds2

About 7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid

7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid (PubChem CID 22733997) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid
PubChem CID22733997
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2c1OCC2C
InChIInChI=1S/C11H12O4/c1-6-5-15-10-8(14-2)4-3-7(9(6)10)11(12)13/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyAIJAMWGKYDJMNA-UHFFFAOYSA-N
XLogP1.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-benzoyl-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid
CID 173328533
4-methoxy-6H-benzo[c]chromene-1-carboxylic acid
CID 86169696
7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-carboxylic acid
CID 23296063
4-methoxy-2,3-bis(oxiran-2-ylmethyl)benzoic acid
CID 174602362
4-[(7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-yl)methylsulfanyl]pyridine
CID 22733917
4-benzoyl-3-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 19368233
3,5-dichloro-4-[(E)-2-(7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-yl)ethenyl]pyridine
CID 22734352
methyl 7-methoxy-1,3-benzodioxole-4-carboxylate
CID 19967040
5-bromo-8-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 135311623
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one
CID 155429603
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The IUPAC name of 7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid (CID 22733997) is 7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid.
What is the SMILES notation for 7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The canonical SMILES for 7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid is COc1ccc(C(=O)O)c2c1OCC2C.
What is the InChIKey of 7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The InChIKey is AIJAMWGKYDJMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-6-5-15-10-8(14-2)4-3-7(9(6)10)11(12)13/h3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of 7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid?
7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-4-carboxylic acid is sourced from PubChem (CID 22733997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).