(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate

C18H20O6 — CID 8778510

IUPAC(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1ccccc1OC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H20O6/c1-20-13-7-5-6-8-14(13)24-17(19)11-12-9-15(21-2)18(23-4)16(10-12)22-3/h5-10H,11H2,1-4H3
InChIKeyBOIOMNMUILKXME-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.87
Rot. Bonds7

About (2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate

(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 8778510) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID8778510
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1ccccc1OC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H20O6/c1-20-13-7-5-6-8-14(13)24-17(19)11-12-9-15(21-2)18(23-4)16(10-12)22-3/h5-10H,11H2,1-4H3
InChIKeyBOIOMNMUILKXME-UHFFFAOYSA-N
XLogP2.87
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.87
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

(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7926501
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
[2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 22086648
(2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7921059
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013844
(2-methoxyphenyl) 2-naphthalen-1-ylacetate
CID 836864
[4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8867360
naphthalen-1-yl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8779641
(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate
CID 18275421
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of (2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate (CID 8778510) is (2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for (2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate is COc1ccccc1OC(=O)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is BOIOMNMUILKXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-20-13-7-5-6-8-14(13)24-17(19)11-12-9-15(21-2)18(23-4)16(10-12)22-3/h5-10H,11H2,1-4H3.
What are the key properties of (2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 332.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 8778510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).