methyl 6-methyl-4-oxochromene-2-carboxylate

C12H10O4 — CID 7021690

IUPACmethyl 6-methyl-4-oxochromene-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(C)ccc2o1
InChIInChI=1S/C12H10O4/c1-7-3-4-10-8(5-7)9(13)6-11(16-10)12(14)15-2/h3-6H,1-2H3
InChIKeySQNCAMKGCRBIJA-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.89
Rot. Bonds1

About methyl 6-methyl-4-oxochromene-2-carboxylate

methyl 6-methyl-4-oxochromene-2-carboxylate (PubChem CID 7021690) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 6-methyl-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-oxochromene-2-carboxylate
PubChem CID7021690
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Namemethyl 6-methyl-4-oxochromene-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(C)ccc2o1
InChIInChI=1S/C12H10O4/c1-7-3-4-10-8(5-7)9(13)6-11(16-10)12(14)15-2/h3-6H,1-2H3
InChIKeySQNCAMKGCRBIJA-UHFFFAOYSA-N
XLogP1.89
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-oxochromene-2-carboxylate?
The IUPAC name of methyl 6-methyl-4-oxochromene-2-carboxylate (CID 7021690) is methyl 6-methyl-4-oxochromene-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-oxochromene-2-carboxylate?
The canonical SMILES for methyl 6-methyl-4-oxochromene-2-carboxylate is COC(=O)c1cc(=O)c2cc(C)ccc2o1.
What is the InChIKey of methyl 6-methyl-4-oxochromene-2-carboxylate?
The InChIKey is SQNCAMKGCRBIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-7-3-4-10-8(5-7)9(13)6-11(16-10)12(14)15-2/h3-6H,1-2H3.
What are the key properties of methyl 6-methyl-4-oxochromene-2-carboxylate?
methyl 6-methyl-4-oxochromene-2-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-oxochromene-2-carboxylate is sourced from PubChem (CID 7021690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).