methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate

C21H24O7 — CID 70426380

IUPACmethyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(OC)cc(OC)c1C(C(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C21H24O7/c1-13(22)20(14-6-8-15(24-2)9-7-14)21-17(26-4)10-16(25-3)11-18(21)28-12-19(23)27-5/h6-11,20H,12H2,1-5H3
InChIKeySGITZDHMRRHQDI-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.99
Rot. Bonds9

About methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate

methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate (PubChem CID 70426380) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
PubChem CID70426380
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Namemethyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(OC)cc(OC)c1C(C(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C21H24O7/c1-13(22)20(14-6-8-15(24-2)9-7-14)21-17(26-4)10-16(25-3)11-18(21)28-12-19(23)27-5/h6-11,20H,12H2,1-5H3
InChIKeySGITZDHMRRHQDI-UHFFFAOYSA-N
XLogP2.99
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate
CID 70287614
methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
CID 70426379
methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate
CID 19744869
1-(2-hydroxy-4,6-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-2-one
CID 70289976
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
CID 60882110
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
(3R)-3-(2,4,6-trimethoxyphenyl)butan-2-one
CID 86312414
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212
methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63058852
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
CID 54930741
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate (CID 70426380) is methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate is COC(=O)COc1cc(OC)cc(OC)c1C(C(C)=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate?
The InChIKey is SGITZDHMRRHQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c1-13(22)20(14-6-8-15(24-2)9-7-14)21-17(26-4)10-16(25-3)11-18(21)28-12-19(23)27-5/h6-11,20H,12H2,1-5H3.
What are the key properties of methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate?
methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate has a molecular weight of 388.42 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate is sourced from PubChem (CID 70426380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).