ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate

C23H24O8 — CID 19065205

IUPACethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate
SMILESCCCc1c(O)cc(O)c2c(=O)cc(-c3ccc(OC)c(OCC(=O)OCC)c3)oc12
InChIInChI=1S/C23H24O8/c1-4-6-14-15(24)10-16(25)22-17(26)11-19(31-23(14)22)13-7-8-18(28-3)20(9-13)30-12-21(27)29-5-2/h7-11,24-25H,4-6,12H2,1-3H3
InChIKeyDPPYAIPIDHHISB-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.77
Rot. Bonds8

About ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate

ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate (PubChem CID 19065205) has the molecular formula C23H24O8 and a molecular weight of 428.44 g/mol. Its IUPAC name is ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate
PubChem CID19065205
Molecular FormulaC23H24O8
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Nameethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate
SMILESCCCc1c(O)cc(O)c2c(=O)cc(-c3ccc(OC)c(OCC(=O)OCC)c3)oc12
InChIInChI=1S/C23H24O8/c1-4-6-14-15(24)10-16(25)22-17(26)11-19(31-23(14)22)13-7-8-18(28-3)20(9-13)30-12-21(27)29-5-2/h7-11,24-25H,4-6,12H2,1-3H3
InChIKeyDPPYAIPIDHHISB-UHFFFAOYSA-N
XLogP3.77
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate
CID 19065243
2-[5-(5,7-dihydroxy-4-oxo-8-prop-2-enylchromen-2-yl)-2-methoxyphenoxy]acetic acid
CID 23212601
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
ethyl 2-[5-hydroxy-2-[4-methoxy-3-[2-oxo-2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethoxy]phenyl]-4-oxochromen-7-yl]oxyacetate
CID 10604672
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
tert-butyl 2-[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate
CID 69027346
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
2-[5-(carboxymethoxy)-2-[3-(carboxymethoxy)-4-methoxyphenyl]-4-oxochromen-7-yl]oxyacetic acid
CID 67582589
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 44562556
7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one
CID 19049226
ethyl 2-[2-(4-methoxyphenyl)-4-oxo-7-prop-2-enoxychromen-5-yl]oxyacetate;2H-oxete
CID 67583945
[5-(5,7-dihydroxy-8-nitro-4-oxochromen-2-yl)-2-methoxyphenyl] 4-methylbenzenesulfonate
CID 101496531

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate (CID 19065205) is ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate is CCCc1c(O)cc(O)c2c(=O)cc(-c3ccc(OC)c(OCC(=O)OCC)c3)oc12.
What is the InChIKey of ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate?
The InChIKey is DPPYAIPIDHHISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O8/c1-4-6-14-15(24)10-16(25)22-17(26)11-19(31-23(14)22)13-7-8-18(28-3)20(9-13)30-12-21(27)29-5-2/h7-11,24-25H,4-6,12H2,1-3H3.
What are the key properties of ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate?
ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate has a molecular weight of 428.44 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate is sourced from PubChem (CID 19065205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).