[(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate

C25H24O10 — CID 125121075

IUPAC[(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate
SMILESCOc1cc2c(=O)c(-c3ccc(OC(C)=O)cc3)coc2cc1OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC
InChIInChI=1S/C25H24O10/c1-13(30-4)24(28)33-14(2)25(29)35-22-11-20-18(10-21(22)31-5)23(27)19(12-32-20)16-6-8-17(9-7-16)34-15(3)26/h6-14H,1-5H3/t13-,14-/m1/s1
InChIKeyKFHLYAUADACOEL-ZIAGYGMSSA-N
MW484.46 g/mol
LogP3.27
Rot. Bonds8

About [(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate

[(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate (PubChem CID 125121075) has the molecular formula C25H24O10 and a molecular weight of 484.46 g/mol. Its IUPAC name is [(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate.

Molecular Properties

Compound Name[(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate
PubChem CID125121075
Molecular FormulaC25H24O10
Molecular Weight484.46 g/mol
Exact Mass484.14
IUPAC Name[(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate
SMILESCOc1cc2c(=O)c(-c3ccc(OC(C)=O)cc3)coc2cc1OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC
InChIInChI=1S/C25H24O10/c1-13(30-4)24(28)33-14(2)25(29)35-22-11-20-18(10-21(22)31-5)23(27)19(12-32-20)16-6-8-17(9-7-16)34-15(3)26/h6-14H,1-5H3/t13-,14-/m1/s1
InChIKeyKFHLYAUADACOEL-ZIAGYGMSSA-N
XLogP3.27
TPSA127.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

8-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-2-(4-methoxybutyl)-8-oxooctanoic acid
CID 132939466
[4-(5,7-diacetyloxy-6-methoxy-4-oxochromen-3-yl)phenyl] acetate
CID 162915533
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
7-methoxy-3-(4-methoxyphenyl)-6-methylchromen-4-one
CID 57363360
[3-(4-fluorophenyl)-4-oxo-6-propan-2-ylchromen-7-yl] acetate
CID 3414022
(2S)-2-[7-[(1S)-1-carboxyethoxy]-3-[4-(carboxymethoxy)phenyl]-4-oxochromen-6-yl]oxypropanoic acid
CID 125121099
6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one
CID 15228899
methyl (2S)-2-[[[3-(4-acetyloxyphenyl)-4-oxochromen-7-yl]oxy-phenoxyphosphoryl]amino]-4-methylpentanoate
CID 127029051
6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one
CID 58480721
3-(1,3-benzodioxol-5-yl)-7-methoxy-6-propan-2-ylchromen-4-one
CID 4224623
6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 101449891
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate?
The IUPAC name of [(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate (CID 125121075) is [(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate.
What is the SMILES notation for [(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate?
The canonical SMILES for [(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate is COc1cc2c(=O)c(-c3ccc(OC(C)=O)cc3)coc2cc1OC(=O)[C@@H](C)OC(=O)[C@@H](C)OC.
What is the InChIKey of [(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate?
The InChIKey is KFHLYAUADACOEL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C25H24O10/c1-13(30-4)24(28)33-14(2)25(29)35-22-11-20-18(10-21(22)31-5)23(27)19(12-32-20)16-6-8-17(9-7-16)34-15(3)26/h6-14H,1-5H3/t13-,14-/m1/s1.
What are the key properties of [(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate?
[(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate has a molecular weight of 484.46 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-(4-acetyloxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] (2R)-2-methoxypropanoate is sourced from PubChem (CID 125121075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).