ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate

C19H16O4 — CID 134867655

IUPACethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C19H16O4/c1-3-22-19(21)17-12(2)23-16-10-9-14(11-15(16)18(17)20)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyAWFQXLCACFGECB-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.95
Rot. Bonds3

About ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate

ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate (PubChem CID 134867655) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
PubChem CID134867655
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Nameethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C19H16O4/c1-3-22-19(21)17-12(2)23-16-10-9-14(11-15(16)18(17)20)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyAWFQXLCACFGECB-UHFFFAOYSA-N
XLogP3.95
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134868020
ethyl 6-chloro-2-methyl-4-oxo-7-phenylchromene-3-carboxylate
CID 134867911
ethyl 6-nitro-4-oxo-2-phenylchromene-3-carboxylate
CID 132514498
ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867711
ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate
CID 23286075
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
ethyl 7-[acetyl(methylsulfonyl)amino]-2-methyl-4-oxo-6-phenoxychromene-3-carboxylate
CID 14722395
2-methyl-7-phenylxanthen-9-one
CID 123326805
ethyl 5-[(1R)-2-ethoxy-2-oxo-1-phenylethoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 1325291
ethyl 5-hydroxy-2-methyl-4-oxo-6-[[(4-phenylphenyl)methylamino]methyl]pyran-3-carboxylate
CID 44591822
ethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 54583890
ethyl 4-azulen-2-ylbenzoate
CID 122206706

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate (CID 134867655) is ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate is CCOC(=O)c1c(C)oc2ccc(-c3ccccc3)cc2c1=O.
What is the InChIKey of ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate?
The InChIKey is AWFQXLCACFGECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-3-22-19(21)17-12(2)23-16-10-9-14(11-15(16)18(17)20)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate?
ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate has a molecular weight of 308.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate is sourced from PubChem (CID 134867655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).