7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one

C18H16O5 — CID 719937

IUPAC7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
SMILESCCOc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1
InChIInChI=1S/C18H16O5/c1-3-21-14-8-9-15-16(10-14)22-11-17(18(15)19)23-13-6-4-12(20-2)5-7-13/h4-11H,3H2,1-2H3
InChIKeyFNZQQYMQJIQMSV-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.99
Rot. Bonds5

About 7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one

7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one (PubChem CID 719937) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one.

Molecular Properties

Compound Name7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
PubChem CID719937
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
SMILESCCOc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1
InChIInChI=1S/C18H16O5/c1-3-21-14-8-9-15-16(10-14)22-11-17(18(15)19)23-13-6-4-12(20-2)5-7-13/h4-11H,3H2,1-2H3
InChIKeyFNZQQYMQJIQMSV-UHFFFAOYSA-N
XLogP3.99
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one
CID 709023
7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 1182864
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
methyl (2S)-2-[3-(4-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 984092
3-(4-methoxyphenoxy)-7-[(3-methylphenyl)methoxy]chromen-4-one
CID 1033895
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 2792994
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3,3-dimethylbutanoate
CID 2791400
7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 163138200
propan-2-yl (2S)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1182863
benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 2357934
N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 1192171

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one?
The IUPAC name of 7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one (CID 719937) is 7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one.
What is the SMILES notation for 7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one?
The canonical SMILES for 7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one is CCOc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1.
What is the InChIKey of 7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one?
The InChIKey is FNZQQYMQJIQMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-3-21-14-8-9-15-16(10-14)22-11-17(18(15)19)23-13-6-4-12(20-2)5-7-13/h4-11H,3H2,1-2H3.
What are the key properties of 7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one?
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one is sourced from PubChem (CID 719937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).