(2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid

C11H10O3 — CID 86339718

IUPAC(2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid
SMILESC=C1c2ccccc2O[C@@]1(C)C(=O)O
InChIInChI=1S/C11H10O3/c1-7-8-5-3-4-6-9(8)14-11(7,2)10(12)13/h3-6H,1H2,2H3,(H,12,13)/t11-/m1/s1
InChIKeyGUTFWRLPAIAIAM-LLVKDONJSA-N
MW190.20 g/mol
LogP1.94
Rot. Bonds1

About (2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid

(2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid (PubChem CID 86339718) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid
PubChem CID86339718
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid
SMILESC=C1c2ccccc2O[C@@]1(C)C(=O)O
InChIInChI=1S/C11H10O3/c1-7-8-5-3-4-6-9(8)14-11(7,2)10(12)13/h3-6H,1H2,2H3,(H,12,13)/t11-/m1/s1
InChIKeyGUTFWRLPAIAIAM-LLVKDONJSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57231777
(7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid
CID 87656199
6,6-dimethylbenzo[c]chromene-9-carboxylic acid
CID 90880193
1-(2,2-dimethylchromen-4-yl)ethanone;ethane
CID 91394959
(2E)-2-(2,2-dimethyl-3H-1,3-benzoxazin-4-ylidene)-1-(2-methylsulfanylphenyl)ethanone
CID 10286546
2-(hydroxymethyl)-2-methyl-3H-chromen-4-one
CID 121218657
4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid
CID 81137565
(2E)-2-(2,2-dimethyl-3H-1,3-benzoxazin-4-ylidene)-1-(2-methylcyclohexyl)ethanone
CID 10236502
(4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol
CID 135249307
2-(carboxymethyl)-4-oxo-3H-1,3-benzoxazine-2-carboxylic acid
CID 134107078
2,2-dimethyl-3-(3-oxo-3-phenylpropyl)-3H-chromen-4-one
CID 23465628
2-methoxy-2-methyl-1-benzofuran-3-one
CID 13400306

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid?
The IUPAC name of (2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid (CID 86339718) is (2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for (2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid?
The canonical SMILES for (2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid is C=C1c2ccccc2O[C@@]1(C)C(=O)O.
What is the InChIKey of (2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid?
The InChIKey is GUTFWRLPAIAIAM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-8-5-3-4-6-9(8)14-11(7,2)10(12)13/h3-6H,1H2,2H3,(H,12,13)/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid?
(2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 86339718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).