methyl 8-methyl-2-oxochromene-4-carboxylate

C12H10O4 — CID 12008880

IUPACmethyl 8-methyl-2-oxochromene-4-carboxylate
SMILESCOC(=O)c1cc(=O)oc2c(C)cccc12
InChIInChI=1S/C12H10O4/c1-7-4-3-5-8-9(12(14)15-2)6-10(13)16-11(7)8/h3-6H,1-2H3
InChIKeyITEYMCPTZSBOOL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.89
Rot. Bonds1

About methyl 8-methyl-2-oxochromene-4-carboxylate

methyl 8-methyl-2-oxochromene-4-carboxylate (PubChem CID 12008880) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 8-methyl-2-oxochromene-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-2-oxochromene-4-carboxylate
PubChem CID12008880
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Namemethyl 8-methyl-2-oxochromene-4-carboxylate
SMILESCOC(=O)c1cc(=O)oc2c(C)cccc12
InChIInChI=1S/C12H10O4/c1-7-4-3-5-8-9(12(14)15-2)6-10(13)16-11(7)8/h3-6H,1-2H3
InChIKeyITEYMCPTZSBOOL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-8-methylchromen-2-one
CID 54676122
methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate
CID 71518904
methyl 6-(benzylamino)-2-oxo-7,8,9,10-tetrahydrobenzo[h]chromene-4-carboxylate
CID 139218982
dimethyl 6-oxocyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 13416679
1-(7-methyl-1-benzofuran-3-yl)ethanone
CID 53403060
3-methoxy-8-methyl-4-oxochromene-2-carboxylic acid
CID 83824191
methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene-6-carboxylate
CID 11335545
2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
CID 87996295
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370
methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate
CID 44613930

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-2-oxochromene-4-carboxylate?
The IUPAC name of methyl 8-methyl-2-oxochromene-4-carboxylate (CID 12008880) is methyl 8-methyl-2-oxochromene-4-carboxylate.
What is the SMILES notation for methyl 8-methyl-2-oxochromene-4-carboxylate?
The canonical SMILES for methyl 8-methyl-2-oxochromene-4-carboxylate is COC(=O)c1cc(=O)oc2c(C)cccc12.
What is the InChIKey of methyl 8-methyl-2-oxochromene-4-carboxylate?
The InChIKey is ITEYMCPTZSBOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-7-4-3-5-8-9(12(14)15-2)6-10(13)16-11(7)8/h3-6H,1-2H3.
What are the key properties of methyl 8-methyl-2-oxochromene-4-carboxylate?
methyl 8-methyl-2-oxochromene-4-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 8-methyl-2-oxochromene-4-carboxylate is sourced from PubChem (CID 12008880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).