3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one

C21H20O5 — CID 984812

IUPAC3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one
SMILESC=C(C)COc1ccc2c(=O)c(Oc3ccccc3OCC)coc2c1
InChIInChI=1S/C21H20O5/c1-4-23-17-7-5-6-8-18(17)26-20-13-25-19-11-15(24-12-14(2)3)9-10-16(19)21(20)22/h5-11,13H,2,4,12H2,1,3H3
InChIKeyMOANKCDTEMCXNJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.94
Rot. Bonds7

About 3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one

3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one (PubChem CID 984812) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one
PubChem CID984812
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one
SMILESC=C(C)COc1ccc2c(=O)c(Oc3ccccc3OCC)coc2c1
InChIInChI=1S/C21H20O5/c1-4-23-17-7-5-6-8-18(17)26-20-13-25-19-11-15(24-12-14(2)3)9-10-16(19)21(20)22/h5-11,13H,2,4,12H2,1,3H3
InChIKeyMOANKCDTEMCXNJ-UHFFFAOYSA-N
XLogP4.94
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid
CID 22682676
2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate
CID 7139399
2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid
CID 45369763
[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl] 2-oxochromene-3-carboxylate
CID 1179727
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 2001934
3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one
CID 709023
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
3-(2-bromophenoxy)-7-[2-(4-bromophenyl)-2-oxoethoxy]chromen-4-one
CID 2018465
4-[3-(2-tert-butylphenoxy)-4-oxochromen-7-yl]oxybutanoic acid
CID 22688043
2-[3-(2,4-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetic acid
CID 7745041
2-[[2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetic acid
CID 7139404

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one?
The IUPAC name of 3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one (CID 984812) is 3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one.
What is the SMILES notation for 3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one?
The canonical SMILES for 3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one is C=C(C)COc1ccc2c(=O)c(Oc3ccccc3OCC)coc2c1.
What is the InChIKey of 3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one?
The InChIKey is MOANKCDTEMCXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-4-23-17-7-5-6-8-18(17)26-20-13-25-19-11-15(24-12-14(2)3)9-10-16(19)21(20)22/h5-11,13H,2,4,12H2,1,3H3.
What are the key properties of 3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one?
3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one has a molecular weight of 352.39 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one is sourced from PubChem (CID 984812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).