ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate

C26H30O8 — CID 19065243

IUPACethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate
SMILESCCCc1c(O)c(CCC)c2oc(-c3ccc(OC)c(OCC(=O)OCC)c3)cc(=O)c2c1O
InChIInChI=1S/C26H30O8/c1-5-8-16-24(29)17(9-6-2)26-23(25(16)30)18(27)13-20(34-26)15-10-11-19(31-4)21(12-15)33-14-22(28)32-7-3/h10-13,29-30H,5-9,14H2,1-4H3
InChIKeyLZRQHYLVGDBJJV-UHFFFAOYSA-N
MW470.52 g/mol
LogP4.73
Rot. Bonds10

About ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate

ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate (PubChem CID 19065243) has the molecular formula C26H30O8 and a molecular weight of 470.52 g/mol. Its IUPAC name is ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate
PubChem CID19065243
Molecular FormulaC26H30O8
Molecular Weight470.52 g/mol
Exact Mass470.19
IUPAC Nameethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate
SMILESCCCc1c(O)c(CCC)c2oc(-c3ccc(OC)c(OCC(=O)OCC)c3)cc(=O)c2c1O
InChIInChI=1S/C26H30O8/c1-5-8-16-24(29)17(9-6-2)26-23(25(16)30)18(27)13-20(34-26)15-10-11-19(31-4)21(12-15)33-14-22(28)32-7-3/h10-13,29-30H,5-9,14H2,1-4H3
InChIKeyLZRQHYLVGDBJJV-UHFFFAOYSA-N
XLogP4.73
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate with MolForge

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Related Compounds

ethyl 2-[5-(5,7-dihydroxy-4-oxo-8-propylchromen-2-yl)-2-methoxyphenoxy]acetate
CID 19065205
2-[5-(5,7-dihydroxy-4-oxo-8-prop-2-enylchromen-2-yl)-2-methoxyphenoxy]acetic acid
CID 23212601
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
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
2-[5-(carboxymethoxy)-2-[3-(carboxymethoxy)-4-methoxyphenyl]-4-oxochromen-7-yl]oxyacetic acid
CID 67582589
tert-butyl 2-[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate
CID 69027346
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
methyl (3R)-3-[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]-3-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propanoate
CID 98885665
6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one
CID 141172325
ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate
CID 14115361
ethyl 2-[2-(4-methoxyphenyl)-4-oxo-7-prop-2-enoxychromen-5-yl]oxyacetate;2H-oxete
CID 67583945
ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
CID 144536056

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate (CID 19065243) is ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate is CCCc1c(O)c(CCC)c2oc(-c3ccc(OC)c(OCC(=O)OCC)c3)cc(=O)c2c1O.
What is the InChIKey of ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate?
The InChIKey is LZRQHYLVGDBJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O8/c1-5-8-16-24(29)17(9-6-2)26-23(25(16)30)18(27)13-20(34-26)15-10-11-19(31-4)21(12-15)33-14-22(28)32-7-3/h10-13,29-30H,5-9,14H2,1-4H3.
What are the key properties of ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate?
ethyl 2-[5-(5,7-dihydroxy-4-oxo-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate has a molecular weight of 470.52 g/mol, XLogP of 4.73, 10 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-6,8-dipropylchromen-2-yl)-2-methoxyphenoxy]acetate is sourced from PubChem (CID 19065243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).