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

C20H22O6 — CID 70287614

IUPAC[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate
SMILESCOc1ccc(C(C(C)=O)c2c(OC)cc(OC)cc2OC(C)=O)cc1
InChIInChI=1S/C20H22O6/c1-12(21)19(14-6-8-15(23-3)9-7-14)20-17(25-5)10-16(24-4)11-18(20)26-13(2)22/h6-11,19H,1-5H3
InChIKeyYUHDPCZHGSGBKO-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.36
Rot. Bonds7

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

[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate (PubChem CID 70287614) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is [3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate.

Molecular Properties

Compound Name[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate
PubChem CID70287614
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate
SMILESCOc1ccc(C(C(C)=O)c2c(OC)cc(OC)cc2OC(C)=O)cc1
InChIInChI=1S/C20H22O6/c1-12(21)19(14-6-8-15(23-3)9-7-14)20-17(25-5)10-16(24-4)11-18(20)26-13(2)22/h6-11,19H,1-5H3
InChIKeyYUHDPCZHGSGBKO-UHFFFAOYSA-N
XLogP3.36
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenoxy]acetate
CID 70426380
1-(2-hydroxy-4,6-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-2-one
CID 70289976
(3R)-3-(2,4,6-trimethoxyphenyl)butan-2-one
CID 86312414
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751
(3,4-dimethoxyphenyl) acetate
CID 593001
2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 159061964
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
2-(2,4-dimethoxy-6-methylphenyl)-3-oxobutanenitrile
CID 42638797
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212
[3,5-dimethoxy-2-[(E)-3-(4-methoxyphenyl)(1,2,3-13C3)prop-2-enoyl]phenyl] acetate
CID 46702268
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate?
The IUPAC name of [3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate (CID 70287614) is [3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate.
What is the SMILES notation for [3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate?
The canonical SMILES for [3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate is COc1ccc(C(C(C)=O)c2c(OC)cc(OC)cc2OC(C)=O)cc1.
What is the InChIKey of [3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate?
The InChIKey is YUHDPCZHGSGBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c1-12(21)19(14-6-8-15(23-3)9-7-14)20-17(25-5)10-16(24-4)11-18(20)26-13(2)22/h6-11,19H,1-5H3.
What are the key properties of [3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate?
[3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate has a molecular weight of 358.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethoxy-2-[1-(4-methoxyphenyl)-2-oxopropyl]phenyl] acetate is sourced from PubChem (CID 70287614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).