3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid

C20H18O7 — CID 22682676

IUPAC3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid
SMILESCCOc1ccccc1Oc1coc2cc(OCCC(=O)O)ccc2c1=O
InChIInChI=1S/C20H18O7/c1-2-24-15-5-3-4-6-16(15)27-18-12-26-17-11-13(25-10-9-19(21)22)7-8-14(17)20(18)23/h3-8,11-12H,2,9-10H2,1H3,(H,21,22)
InChIKeyQGURJIHVNHSWHO-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.84
Rot. Bonds8

About 3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid

3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid (PubChem CID 22682676) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid
PubChem CID22682676
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid
SMILESCCOc1ccccc1Oc1coc2cc(OCCC(=O)O)ccc2c1=O
InChIInChI=1S/C20H18O7/c1-2-24-15-5-3-4-6-16(15)27-18-12-26-17-11-13(25-10-9-19(21)22)7-8-14(17)20(18)23/h3-8,11-12H,2,9-10H2,1H3,(H,21,22)
InChIKeyQGURJIHVNHSWHO-UHFFFAOYSA-N
XLogP3.84
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one
CID 984812
4-[3-(2-tert-butylphenoxy)-4-oxochromen-7-yl]oxybutanoic acid
CID 22688043
4-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxybutanoic acid
CID 20990110
4-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxybutanoic acid
CID 20992382
3-[4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxypropanoic acid
CID 22681346
3-[3-[4-(2-methylbutan-2-yl)phenoxy]-4-oxochromen-7-yl]oxypropanoic acid
CID 22687629
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
3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one
CID 709023
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid?
The IUPAC name of 3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid (CID 22682676) is 3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid.
What is the SMILES notation for 3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid?
The canonical SMILES for 3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid is CCOc1ccccc1Oc1coc2cc(OCCC(=O)O)ccc2c1=O.
What is the InChIKey of 3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid?
The InChIKey is QGURJIHVNHSWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O7/c1-2-24-15-5-3-4-6-16(15)27-18-12-26-17-11-13(25-10-9-19(21)22)7-8-14(17)20(18)23/h3-8,11-12H,2,9-10H2,1H3,(H,21,22).
What are the key properties of 3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid?
3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid has a molecular weight of 370.36 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid is sourced from PubChem (CID 22682676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).