methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate

C21H20O6 — CID 2918253

IUPACmethyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
SMILESCCc1ccc(Oc2coc3cc(OC(C)C(=O)OC)ccc3c2=O)cc1
InChIInChI=1S/C21H20O6/c1-4-14-5-7-15(8-6-14)27-19-12-25-18-11-16(9-10-17(18)20(19)22)26-13(2)21(23)24-3/h5-13H,4H2,1-3H3
InChIKeyAPKYPSUVVIFKQF-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.09
Rot. Bonds6

About methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate

methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate (PubChem CID 2918253) has the molecular formula C21H20O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
PubChem CID2918253
Molecular FormulaC21H20O6
Molecular Weight368.39 g/mol
Exact Mass368.13
IUPAC Namemethyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
SMILESCCc1ccc(Oc2coc3cc(OC(C)C(=O)OC)ccc3c2=O)cc1
InChIInChI=1S/C21H20O6/c1-4-14-5-7-15(8-6-14)27-19-12-25-18-11-16(9-10-17(18)20(19)22)26-13(2)21(23)24-3/h5-13H,4H2,1-3H3
InChIKeyAPKYPSUVVIFKQF-UHFFFAOYSA-N
XLogP4.09
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate 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

methyl (2S)-2-[3-(4-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 984092
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 3725199
propan-2-yl (2S)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1182863
butan-2-yl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 4574769
propyl 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxypropanoate
CID 4106290
2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
CID 2790491
butan-2-yl 2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 3364539
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 2-(4-chlorophenoxy)propanoate
CID 5078635
5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138904
2-ethoxyethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
CID 3358856

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate?
The IUPAC name of methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate (CID 2918253) is methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate.
What is the SMILES notation for methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate?
The canonical SMILES for methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate is CCc1ccc(Oc2coc3cc(OC(C)C(=O)OC)ccc3c2=O)cc1.
What is the InChIKey of methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate?
The InChIKey is APKYPSUVVIFKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O6/c1-4-14-5-7-15(8-6-14)27-19-12-25-18-11-16(9-10-17(18)20(19)22)26-13(2)21(23)24-3/h5-13H,4H2,1-3H3.
What are the key properties of methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate?
methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate has a molecular weight of 368.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate is sourced from PubChem (CID 2918253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).