2,2-dimethylchromene-6-carboxylic acid

C12H12O3 — CID 5319235

IUPAC2,2-dimethylchromene-6-carboxylic acid
SMILESCC1(C)C=Cc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14)
InChIKeyAXICIBPYBONRSP-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.57
Rot. Bonds1

About 2,2-dimethylchromene-6-carboxylic acid

2,2-dimethylchromene-6-carboxylic acid (PubChem CID 5319235) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2,2-dimethylchromene-6-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethylchromene-6-carboxylic acid
PubChem CID5319235
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2,2-dimethylchromene-6-carboxylic acid
SMILESCC1(C)C=Cc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14)
InChIKeyAXICIBPYBONRSP-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylchromene-6-carboxylic acid?
The IUPAC name of 2,2-dimethylchromene-6-carboxylic acid (CID 5319235) is 2,2-dimethylchromene-6-carboxylic acid.
What is the SMILES notation for 2,2-dimethylchromene-6-carboxylic acid?
The canonical SMILES for 2,2-dimethylchromene-6-carboxylic acid is CC1(C)C=Cc2cc(C(=O)O)ccc2O1.
What is the InChIKey of 2,2-dimethylchromene-6-carboxylic acid?
The InChIKey is AXICIBPYBONRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethylchromene-6-carboxylic acid?
2,2-dimethylchromene-6-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylchromene-6-carboxylic acid is sourced from PubChem (CID 5319235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).