2-methoxy-1,3-dihydroindene-2-carboxylic acid

C11H12O3 — CID 78969488

IUPAC2-methoxy-1,3-dihydroindene-2-carboxylic acid
SMILESCOC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C11H12O3/c1-14-11(10(12)13)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyDNEDHELWOWRTGH-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.25
Rot. Bonds2

About 2-methoxy-1,3-dihydroindene-2-carboxylic acid

2-methoxy-1,3-dihydroindene-2-carboxylic acid (PubChem CID 78969488) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-methoxy-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-1,3-dihydroindene-2-carboxylic acid
PubChem CID78969488
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-methoxy-1,3-dihydroindene-2-carboxylic acid
SMILESCOC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C11H12O3/c1-14-11(10(12)13)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyDNEDHELWOWRTGH-UHFFFAOYSA-N
XLogP1.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-methoxy-1,3-dihydroindene-2-carboxylic acid (CID 78969488) is 2-methoxy-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-methoxy-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-methoxy-1,3-dihydroindene-2-carboxylic acid is COC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-methoxy-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is DNEDHELWOWRTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-14-11(10(12)13)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-methoxy-1,3-dihydroindene-2-carboxylic acid?
2-methoxy-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 78969488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).