6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid

C12H14O4 — CID 82127851

IUPAC6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCOc1ccc2c(c1OC)C(C(=O)O)CC2
InChIInChI=1S/C12H14O4/c1-15-9-6-4-7-3-5-8(12(13)14)10(7)11(9)16-2/h4,6,8H,3,5H2,1-2H3,(H,13,14)
InChIKeyQIDUWDPLIRPXKP-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.82
Rot. Bonds3

About 6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid

6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 82127851) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID82127851
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCOc1ccc2c(c1OC)C(C(=O)O)CC2
InChIInChI=1S/C12H14O4/c1-15-9-6-4-7-3-5-8(12(13)14)10(7)11(9)16-2/h4,6,8H,3,5H2,1-2H3,(H,13,14)
InChIKeyQIDUWDPLIRPXKP-UHFFFAOYSA-N
XLogP1.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid
CID 82129493
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
3-amino-6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82159257
(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 124547289
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
(1S)-4,5,6-trimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71405237
7-(dimethylamino)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 112709090
8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84631866
5-bromo-8-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 135311623
6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one
CID 22767399
7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 175973526
4,5-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid;3-phenylpiperidin-4-amine
CID 69335608

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid (CID 82127851) is 6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid is COc1ccc2c(c1OC)C(C(=O)O)CC2.
What is the InChIKey of 6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is QIDUWDPLIRPXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-15-9-6-4-7-3-5-8(12(13)14)10(7)11(9)16-2/h4,6,8H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 82127851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).