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

C11H12O3 — CID 86317091

IUPAC(2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESCc1ccc2c(c1C)O[C@@H](C(=O)O)C2
InChIInChI=1S/C11H12O3/c1-6-3-4-8-5-9(11(12)13)14-10(8)7(6)2/h3-4,9H,5H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyMXSSAVDQXFOUOF-SECBINFHSA-N
MW192.21 g/mol
LogP1.69
Rot. Bonds1

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

(2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid (PubChem CID 86317091) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
PubChem CID86317091
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESCc1ccc2c(c1C)O[C@@H](C(=O)O)C2
InChIInChI=1S/C11H12O3/c1-6-3-4-8-5-9(11(12)13)14-10(8)7(6)2/h3-4,9H,5H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyMXSSAVDQXFOUOF-SECBINFHSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-7-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 82373096
7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 83397186
(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 10686807
(2R)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 26600774
8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 117051012
5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 165462903
6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 165442221
4-[(7,8-dimethyl-3,4-dihydro-2H-chromen-2-yl)methoxy]-4-oxobutanoic acid
CID 142544135
8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 58733109
(3S)-7-chloro-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 7464521
4-oxooxetane-2-carboxylic acid
CID 55299922
(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078820

Frequently Asked Questions

What is the IUPAC name of (2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The IUPAC name of (2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid (CID 86317091) is (2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for (2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for (2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid is Cc1ccc2c(c1C)O[C@@H](C(=O)O)C2.
What is the InChIKey of (2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The InChIKey is MXSSAVDQXFOUOF-SECBINFHSA-N. The full InChI is InChI=1S/C11H12O3/c1-6-3-4-8-5-9(11(12)13)14-10(8)7(6)2/h3-4,9H,5H2,1-2H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid?
(2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 86317091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).