ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

C19H16O4 — CID 19972541

IUPACethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C19H16O4/c1-3-22-19(21)15-11-7-10-14-16(20)12(2)17(23-18(14)15)13-8-5-4-6-9-13/h4-11H,3H2,1-2H3
InChIKeyNFRGNMIIGIZYDL-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.95
Rot. Bonds3

About ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (PubChem CID 19972541) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
PubChem CID19972541
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Nameethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C19H16O4/c1-3-22-19(21)15-11-7-10-14-16(20)12(2)17(23-18(14)15)13-8-5-4-6-9-13/h4-11H,3H2,1-2H3
InChIKeyNFRGNMIIGIZYDL-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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The IUPAC name of ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (CID 19972541) is ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is CCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.
What is the InChIKey of ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
The InChIKey is NFRGNMIIGIZYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-3-22-19(21)15-11-7-10-14-16(20)12(2)17(23-18(14)15)13-8-5-4-6-9-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?
ethyl 3-methyl-4-oxo-2-phenylchromene-8-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 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is sourced from PubChem (CID 19972541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).