(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate

C20H24O6 — CID 8013844

IUPAC(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCCOc1ccccc1COC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24O6/c1-5-25-16-9-7-6-8-15(16)13-26-19(21)12-14-10-17(22-2)20(24-4)18(11-14)23-3/h6-11H,5,12-13H2,1-4H3
InChIKeyZSIKZPVMJIXHNV-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.40
Rot. Bonds9

About (2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate

(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 8013844) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID8013844
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCCOc1ccccc1COC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24O6/c1-5-25-16-9-7-6-8-15(16)13-26-19(21)12-14-10-17(22-2)20(24-4)18(11-14)23-3/h6-11H,5,12-13H2,1-4H3
InChIKeyZSIKZPVMJIXHNV-UHFFFAOYSA-N
XLogP3.40
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013688
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
(2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 2434345
(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate
CID 18275421
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
(2-ethoxyphenyl)methyl (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 7757722
(3-nitrophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 5191268
(3-oxobenzo[f]chromen-1-yl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 4312941
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 101165003
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of (2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate (CID 8013844) is (2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for (2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for (2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate is CCOc1ccccc1COC(=O)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is ZSIKZPVMJIXHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-5-25-16-9-7-6-8-15(16)13-26-19(21)12-14-10-17(22-2)20(24-4)18(11-14)23-3/h6-11H,5,12-13H2,1-4H3.
What are the key properties of (2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate?
(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 360.41 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 8013844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).