5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid

C12H14O4 — CID 18545807

IUPAC5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCOc1cc2c(cc1OC)CC(C(=O)O)C2
InChIInChI=1S/C12H14O4/c1-15-10-5-7-3-9(12(13)14)4-8(7)6-11(10)16-2/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyKXCSKBHPZZVXJN-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.50
Rot. Bonds3

About 5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid

5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 18545807) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID18545807
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCOc1cc2c(cc1OC)CC(C(=O)O)C2
InChIInChI=1S/C12H14O4/c1-15-10-5-7-3-9(12(13)14)4-8(7)6-11(10)16-2/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyKXCSKBHPZZVXJN-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid (CID 18545807) is 5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid is COc1cc2c(cc1OC)CC(C(=O)O)C2.
What is the InChIKey of 5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is KXCSKBHPZZVXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-15-10-5-7-3-9(12(13)14)4-8(7)6-11(10)16-2/h5-6,9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid?
5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 18545807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).