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

C20H18O7 — CID 3725199

IUPACmethyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
SMILESCOC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccccc3OC)coc2c1
InChIInChI=1S/C20H18O7/c1-12(20(22)24-3)26-13-8-9-14-17(10-13)25-11-18(19(14)21)27-16-7-5-4-6-15(16)23-2/h4-12H,1-3H3
InChIKeyIVQIZOMKSFULLS-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.53
Rot. Bonds6

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

methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate (PubChem CID 3725199) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
PubChem CID3725199
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Namemethyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
SMILESCOC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccccc3OC)coc2c1
InChIInChI=1S/C20H18O7/c1-12(20(22)24-3)26-13-8-9-14-17(10-13)25-11-18(19(14)21)27-16-7-5-4-6-15(16)23-2/h4-12H,1-3H3
InChIKeyIVQIZOMKSFULLS-UHFFFAOYSA-N
XLogP3.53
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 2918253
methyl (2S)-2-[3-(4-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 984092
propan-2-yl (2S)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1182863
2-methylpropyl 2-[4-oxo-3-(2-propan-2-ylphenoxy)chromen-7-yl]oxypropanoate
CID 4109829
2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
propyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 2790895
ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
CID 2790491
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 2-(4-chlorophenoxy)propanoate
CID 5078635
[3-(2-methoxyphenoxy)-4-oxochromen-7-yl] cyclohexanecarboxylate
CID 2017078
propyl 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxypropanoate
CID 4106290
2-[3-(2-ethylphenoxy)-4-oxochromen-7-yl]oxy-3-methylbutanoic acid
CID 20992793

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate?
The IUPAC name of methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate (CID 3725199) is methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate.
What is the SMILES notation for methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate?
The canonical SMILES for methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate is COC(=O)C(C)Oc1ccc2c(=O)c(Oc3ccccc3OC)coc2c1.
What is the InChIKey of methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate?
The InChIKey is IVQIZOMKSFULLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O7/c1-12(20(22)24-3)26-13-8-9-14-17(10-13)25-11-18(19(14)21)27-16-7-5-4-6-15(16)23-2/h4-12H,1-3H3.
What are the key properties of methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate?
methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate has a molecular weight of 370.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate is sourced from PubChem (CID 3725199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).