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

C21H24O7 — CID 70426379

IUPACmethyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(OC)cc(OC)c1CC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C21H24O7/c1-24-16-7-5-14(6-8-16)9-15(22)10-18-19(26-3)11-17(25-2)12-20(18)28-13-21(23)27-4/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyXODSVWLIKMZBBW-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.62
Rot. Bonds10

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

methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate (PubChem CID 70426379) 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)-2-oxopropyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
PubChem CID70426379
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Namemethyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(OC)cc(OC)c1CC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C21H24O7/c1-24-16-7-5-14(6-8-16)9-15(22)10-18-19(26-3)11-17(25-2)12-20(18)28-13-21(23)27-4/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyXODSVWLIKMZBBW-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate
CID 19744869
1-(1,3-benzodioxol-5-yl)-3-(2,4,6-trimethoxyphenyl)propan-2-one
CID 46830515
methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
CID 70426380
1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
CID 62159649
3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione
CID 606893
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
9-O-[3,5-dimethoxy-2-[2-(4-methoxyphenyl)acetyl]phenyl] 1-O-methyl nonanedioate
CID 15840218
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate (CID 70426379) is methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate is COC(=O)COc1cc(OC)cc(OC)c1CC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate?
The InChIKey is XODSVWLIKMZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c1-24-16-7-5-14(6-8-16)9-15(22)10-18-19(26-3)11-17(25-2)12-20(18)28-13-21(23)27-4/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate?
methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate has a molecular weight of 388.42 g/mol, XLogP of 2.62, 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)-2-oxopropyl]phenoxy]acetate is sourced from PubChem (CID 70426379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).