(2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid

C11H12O3 — CID 26600774

IUPAC(2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1O[C@H](C)C2
InChIInChI=1S/C11H12O3/c1-6-5-8-3-4-9(11(12)13)7(2)10(8)14-6/h3-4,6H,5H2,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyARAIFRUQLOJKNN-ZCFIWIBFSA-N
MW192.21 g/mol
LogP2.02
Rot. Bonds1

About (2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid

(2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid (PubChem CID 26600774) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name(2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid
PubChem CID26600774
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1O[C@H](C)C2
InChIInChI=1S/C11H12O3/c1-6-5-8-3-4-9(11(12)13)7(2)10(8)14-6/h3-4,6H,5H2,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyARAIFRUQLOJKNN-ZCFIWIBFSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid with MolForge

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Related Compounds

7-bromo-6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83903921
2,3-dimethylterephthalic acid
CID 158313107
2-(2,7-dimethyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 55254026
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-N-methoxysulfanyl-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide
CID 24741711
(2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 86317091
1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22993784
N'-tert-butyl-N-(butyldisulfanyl)-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide
CID 25155280
7-amino-2-methyl-3,6,8,9-tetrahydro-2H-furo[3,2-i][1]benzoxepine-7-carboxylic acid
CID 82624445
(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid
CID 171252203
2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
CID 43297113
7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
CID 86150963
2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 163619458

Frequently Asked Questions

What is the IUPAC name of (2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The IUPAC name of (2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid (CID 26600774) is (2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for (2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The canonical SMILES for (2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid is Cc1c(C(=O)O)ccc2c1O[C@H](C)C2.
What is the InChIKey of (2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The InChIKey is ARAIFRUQLOJKNN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12O3/c1-6-5-8-3-4-9(11(12)13)7(2)10(8)14-6/h3-4,6H,5H2,1-2H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid?
(2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 26600774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).