ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate

C21H20O4 — CID 134867711

IUPACethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate
SMILESCCOC(=O)c1c(CC)oc2cc(C)c(-c3ccccc3)cc2c1=O
InChIInChI=1S/C21H20O4/c1-4-17-19(21(23)24-5-2)20(22)16-12-15(13(3)11-18(16)25-17)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3
InChIKeyCHVOQCQSABPNNC-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.51
Rot. Bonds4

About ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate

ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate (PubChem CID 134867711) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate
PubChem CID134867711
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Nameethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate
SMILESCCOC(=O)c1c(CC)oc2cc(C)c(-c3ccccc3)cc2c1=O
InChIInChI=1S/C21H20O4/c1-4-17-19(21(23)24-5-2)20(22)16-12-15(13(3)11-18(16)25-17)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3
InChIKeyCHVOQCQSABPNNC-UHFFFAOYSA-N
XLogP4.51
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.51
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 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
ethyl 2-(chloromethyl)-4-oxochromene-3-carboxylate
CID 154715605
ethyl 2-ethyl-5-methyl-6-oxo-4-phenylpyran-3-carboxylate
CID 101231625
ethyl 6-nitro-4-oxo-2-phenylchromene-3-carboxylate
CID 132514498
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 2-(2-methylphenyl)-4-oxochromene-3-carboxylate
CID 154714903
ethyl 4-(4-chlorophenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 138984790
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
CID 2763622
6-O-ethyl 7-O-methyl 2-oxo-3,4-diphenylchromene-6,7-dicarboxylate
CID 134912171

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate (CID 134867711) is ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate is CCOC(=O)c1c(CC)oc2cc(C)c(-c3ccccc3)cc2c1=O.
What is the InChIKey of ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate?
The InChIKey is CHVOQCQSABPNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-4-17-19(21(23)24-5-2)20(22)16-12-15(13(3)11-18(16)25-17)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate?
ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate is sourced from PubChem (CID 134867711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).