3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one

C19H18O4 — CID 709023

IUPAC3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one
SMILESCCOc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1
InChIInChI=1S/C19H18O4/c1-4-21-14-5-6-16-17(10-14)22-11-18(19(16)20)23-15-8-12(2)7-13(3)9-15/h5-11H,4H2,1-3H3
InChIKeyFQWOHYHTOCUSJS-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.60
Rot. Bonds4

About 3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one

3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one (PubChem CID 709023) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one
PubChem CID709023
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one
SMILESCCOc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1
InChIInChI=1S/C19H18O4/c1-4-21-14-5-6-16-17(10-14)22-11-18(19(16)20)23-15-8-12(2)7-13(3)9-15/h5-11H,4H2,1-3H3
InChIKeyFQWOHYHTOCUSJS-UHFFFAOYSA-N
XLogP4.60
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
4-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxybutanoic acid
CID 20990110
butan-2-yl 2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 3364539
[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl] 2-methylpropanoate
CID 1181157
3-(3,5-dimethylphenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)chromen-4-one
CID 4102579
5-[[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138884
3-(3,5-dimethylphenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)chromen-4-one;hydrochloride
CID 18590703
7-[3-(2,6-dimethylmorpholin-4-ium-4-yl)-2-hydroxypropoxy]-3-(3,5-dimethylphenoxy)chromen-4-one
CID 4134883
methyl (2S)-2-[3-(4-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 984092
3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid
CID 22682676
3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one
CID 984812
3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one
CID 1033895

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one?
The IUPAC name of 3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one (CID 709023) is 3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one is CCOc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one?
The InChIKey is FQWOHYHTOCUSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-4-21-14-5-6-16-17(10-14)22-11-18(19(16)20)23-15-8-12(2)7-13(3)9-15/h5-11H,4H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one?
3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one has a molecular weight of 310.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one is sourced from PubChem (CID 709023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).