5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one

C20H20O2 — CID 70447716

IUPAC5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one
SMILESCCc1ccccc1-c1oc2cccc(CC)c2c(=O)c1C
InChIInChI=1S/C20H20O2/c1-4-14-9-6-7-11-16(14)20-13(3)19(21)18-15(5-2)10-8-12-17(18)22-20/h6-12H,4-5H2,1-3H3
InChIKeyQPLCZDUMSOPKOT-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.89
Rot. Bonds3

About 5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one

5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one (PubChem CID 70447716) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one.

Molecular Properties

Compound Name5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one
PubChem CID70447716
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one
SMILESCCc1ccccc1-c1oc2cccc(CC)c2c(=O)c1C
InChIInChI=1S/C20H20O2/c1-4-14-9-6-7-11-16(14)20-13(3)19(21)18-15(5-2)10-8-12-17(18)22-20/h6-12H,4-5H2,1-3H3
InChIKeyQPLCZDUMSOPKOT-UHFFFAOYSA-N
XLogP4.89
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175502832
4-ethyl-2,3-dimethyl-1-benzofuran
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3-bromo-2,5-diethylchromen-4-one
CID 145057358
4-ethylxanthen-9-one
CID 15075530
3-hydroxy-5-pentyl-2-phenylchromen-4-one
CID 67380018
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
methanesulfonic acid;3-methyl-2-phenylchromen-4-one
CID 172814371
2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran
CID 166900704
ethyl 2-(2-methylphenyl)-4-oxochromene-3-carboxylate
CID 154714903
3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one
CID 168878132
1-benzylxanthen-9-one
CID 18759523

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one?
The IUPAC name of 5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one (CID 70447716) is 5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one.
What is the SMILES notation for 5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one?
The canonical SMILES for 5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one is CCc1ccccc1-c1oc2cccc(CC)c2c(=O)c1C.
What is the InChIKey of 5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one?
The InChIKey is QPLCZDUMSOPKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-4-14-9-6-7-11-16(14)20-13(3)19(21)18-15(5-2)10-8-12-17(18)22-20/h6-12H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one?
5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one has a molecular weight of 292.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one is sourced from PubChem (CID 70447716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).