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

C21H20O7 — CID 1184521

IUPACethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1
InChIInChI=1S/C21H20O7/c1-4-25-21(23)13(2)27-16-9-10-17-18(11-16)26-12-19(20(17)22)28-15-7-5-14(24-3)6-8-15/h5-13H,4H2,1-3H3/t13-/m1/s1
InChIKeyJUOQTPRRGZFQNN-CYBMUJFWSA-N
MW384.38 g/mol
LogP3.92
Rot. Bonds7

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

ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate (PubChem CID 1184521) has the molecular formula C21H20O7 and a molecular weight of 384.38 g/mol. Its IUPAC name is ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
PubChem CID1184521
Molecular FormulaC21H20O7
Molecular Weight384.38 g/mol
Exact Mass384.12
IUPAC Nameethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1
InChIInChI=1S/C21H20O7/c1-4-25-21(23)13(2)27-16-9-10-17-18(11-16)26-12-19(20(17)22)28-15-7-5-14(24-3)6-8-15/h5-13H,4H2,1-3H3/t13-/m1/s1
InChIKeyJUOQTPRRGZFQNN-CYBMUJFWSA-N
XLogP3.92
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
CID 2790491
propan-2-yl (2S)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1182863
methyl (2S)-2-[3-(4-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 984092
methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 2918253
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 2-(4-chlorophenoxy)propanoate
CID 5078635
propyl 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxypropanoate
CID 4106290
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
2-ethoxyethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
CID 3358856
butan-2-yl 2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 3364539
2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 3725199
propyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 2790895

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate?
The IUPAC name of ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate (CID 1184521) is ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate.
What is the SMILES notation for ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate?
The canonical SMILES for ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate is CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1.
What is the InChIKey of ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate?
The InChIKey is JUOQTPRRGZFQNN-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20O7/c1-4-25-21(23)13(2)27-16-9-10-17-18(11-16)26-12-19(20(17)22)28-15-7-5-14(24-3)6-8-15/h5-13H,4H2,1-3H3/t13-/m1/s1.
What are the key properties of ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate?
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate has a molecular weight of 384.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate is sourced from PubChem (CID 1184521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).