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

C21H24O7 — CID 19744869

IUPACmethyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(OC)cc(OC)c1C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C21H24O7/c1-24-15-8-5-14(6-9-15)7-10-17(22)21-18(26-3)11-16(25-2)12-19(21)28-13-20(23)27-4/h5-6,8-9,11-12H,7,10,13H2,1-4H3
InChIKeyKUCKBKQLLNPXCT-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.08
Rot. Bonds10

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

methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate (PubChem CID 19744869) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate
PubChem CID19744869
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Namemethyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(OC)cc(OC)c1C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C21H24O7/c1-24-15-8-5-14(6-9-15)7-10-17(22)21-18(26-3)11-16(25-2)12-19(21)28-13-20(23)27-4/h5-6,8-9,11-12H,7,10,13H2,1-4H3
InChIKeyKUCKBKQLLNPXCT-UHFFFAOYSA-N
XLogP3.08
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
CID 70426379
methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate
CID 69082969
9-O-[3,5-dimethoxy-2-[2-(4-methoxyphenyl)acetyl]phenyl] 1-O-methyl nonanedioate
CID 15840218
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
CID 70426380
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
1-(4-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974372
methyl 2-(4-propylphenoxy)acetate
CID 19911850
3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione
CID 606893
2-(2-ethoxyphenoxy)-1-(2,4,6-trimethoxyphenyl)ethanone
CID 2105953
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate (CID 19744869) is methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate is COC(=O)COc1cc(OC)cc(OC)c1C(=O)CCc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate?
The InChIKey is KUCKBKQLLNPXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c1-24-15-8-5-14(6-9-15)7-10-17(22)21-18(26-3)11-16(25-2)12-19(21)28-13-20(23)27-4/h5-6,8-9,11-12H,7,10,13H2,1-4H3.
What are the key properties of methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate?
methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate has a molecular weight of 388.42 g/mol, XLogP of 3.08, 10 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-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate is sourced from PubChem (CID 19744869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).