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

C13H12O4 — CID 15939970

IUPACethyl 2-methyl-4-oxochromene-6-carboxylate
SMILESCCOC(=O)c1ccc2oc(C)cc(=O)c2c1
InChIInChI=1S/C13H12O4/c1-3-16-13(15)9-4-5-12-10(7-9)11(14)6-8(2)17-12/h4-7H,3H2,1-2H3
InChIKeyUMJCTCFHWIYIEN-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.28
Rot. Bonds2

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

ethyl 2-methyl-4-oxochromene-6-carboxylate (PubChem CID 15939970) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is ethyl 2-methyl-4-oxochromene-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-oxochromene-6-carboxylate
PubChem CID15939970
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Nameethyl 2-methyl-4-oxochromene-6-carboxylate
SMILESCCOC(=O)c1ccc2oc(C)cc(=O)c2c1
InChIInChI=1S/C13H12O4/c1-3-16-13(15)9-4-5-12-10(7-9)11(14)6-8(2)17-12/h4-7H,3H2,1-2H3
InChIKeyUMJCTCFHWIYIEN-UHFFFAOYSA-N
XLogP2.28
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate
CID 23286075
ethyl 6-[5-(2-ethoxycarbonyl-4-oxochromen-6-yl)oxypentoxy]-4-oxochromene-2-carboxylate
CID 154133959
ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate
CID 21221595
ethyl 5-(3-ethoxy-1-hydroxy-3-oxopropyl)-9-oxoxanthene-2-carboxylate
CID 67784624
ethyl 6-benzamido-4-oxochromene-2-carboxylate
CID 22471894
2-methyl-4-oxochromene-7-carboxylic acid
CID 166609828
ethyl 2-ethyl-1,3-benzoxazole-5-carboxylate
CID 1214797
ethyl 2-bromo-1,3-benzoxazole-5-carboxylate
CID 131612632
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 2-[2-(4-methylphenyl)ethenyl]-4-oxo-3-propylchromene-6-carboxylate
CID 54101511
ethyl 4-(dimethylamino)benzoate;xanthen-9-one
CID 67481902

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-oxochromene-6-carboxylate?
The IUPAC name of ethyl 2-methyl-4-oxochromene-6-carboxylate (CID 15939970) is ethyl 2-methyl-4-oxochromene-6-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-oxochromene-6-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-oxochromene-6-carboxylate is CCOC(=O)c1ccc2oc(C)cc(=O)c2c1.
What is the InChIKey of ethyl 2-methyl-4-oxochromene-6-carboxylate?
The InChIKey is UMJCTCFHWIYIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-3-16-13(15)9-4-5-12-10(7-9)11(14)6-8(2)17-12/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-oxochromene-6-carboxylate?
ethyl 2-methyl-4-oxochromene-6-carboxylate has a molecular weight of 232.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-oxochromene-6-carboxylate is sourced from PubChem (CID 15939970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).