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

C20H18O4 — CID 134868020

IUPACethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate
SMILESCCOC(=O)c1c(CC)oc2ccc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C20H18O4/c1-3-16-18(20(22)23-4-2)19(21)15-12-14(10-11-17(15)24-16)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyKMJWUZKUTBSXJD-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.20
Rot. Bonds4

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

ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate (PubChem CID 134868020) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate
PubChem CID134868020
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Nameethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate
SMILESCCOC(=O)c1c(CC)oc2ccc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C20H18O4/c1-3-16-18(20(22)23-4-2)19(21)15-12-14(10-11-17(15)24-16)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyKMJWUZKUTBSXJD-UHFFFAOYSA-N
XLogP4.20
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867711
ethyl 6-nitro-4-oxo-2-phenylchromene-3-carboxylate
CID 132514498
ethyl 2-(chloromethyl)-4-oxochromene-3-carboxylate
CID 154715605
ethyl 6-chloro-2-methyl-4-oxo-7-phenylchromene-3-carboxylate
CID 134867911
ethyl 2-ethyl-5-methyl-6-oxo-4-phenylpyran-3-carboxylate
CID 101231625
ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate
CID 23286075
2-methyl-7-phenylxanthen-9-one
CID 123326805
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
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
ethyl 2-(4-oxo-6-phenylchromen-2-yl)cyclopropane-1-carboxylate
CID 21440274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate (CID 134868020) is ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate is CCOC(=O)c1c(CC)oc2ccc(-c3ccccc3)cc2c1=O.
What is the InChIKey of ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate?
The InChIKey is KMJWUZKUTBSXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-3-16-18(20(22)23-4-2)19(21)15-12-14(10-11-17(15)24-16)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate?
ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate is sourced from PubChem (CID 134868020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).