5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid

C11H12O4 — CID 11117257

IUPAC5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCOc1cccc2c1CC(C(=O)O)CO2
InChIInChI=1S/C11H12O4/c1-14-9-3-2-4-10-8(9)5-7(6-15-10)11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyXMGAJGALUQJCQE-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.33
Rot. Bonds2

About 5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid

5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 11117257) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID11117257
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCOc1cccc2c1CC(C(=O)O)CO2
InChIInChI=1S/C11H12O4/c1-14-9-3-2-4-10-8(9)5-7(6-15-10)11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyXMGAJGALUQJCQE-UHFFFAOYSA-N
XLogP1.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 11117257) is 5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid is COc1cccc2c1CC(C(=O)O)CO2.
What is the InChIKey of 5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is XMGAJGALUQJCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-9-3-2-4-10-8(9)5-7(6-15-10)11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13).
What are the key properties of 5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid?
5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11117257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).