[4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate

C20H24O6 — CID 8867360

IUPAC[4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOCCc1ccc(OC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24O6/c1-22-10-9-14-5-7-16(8-6-14)26-19(21)13-15-11-17(23-2)20(25-4)18(12-15)24-3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyIIUDPENIXGBOPI-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.05
Rot. Bonds9

About [4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate

[4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 8867360) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is [4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID8867360
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name[4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOCCc1ccc(OC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H24O6/c1-22-10-9-14-5-7-16(8-6-14)26-19(21)13-15-11-17(23-2)20(25-4)18(12-15)24-3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyIIUDPENIXGBOPI-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7926501
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
1H-indol-5-yl 2-(3,4,5-trimethoxyphenyl)acetate
CID 89364974
[4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7758660
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
(2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7921059
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573383
[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
CID 58090360
3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 11292180
naphthalen-2-yl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 2677389

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 8867360) is [4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate is COCCc1ccc(OC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of [4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is IIUDPENIXGBOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-22-10-9-14-5-7-16(8-6-14)26-19(21)13-15-11-17(23-2)20(25-4)18(12-15)24-3/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of [4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 360.41 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 8867360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).