(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate

C21H26O7 — CID 9095626

IUPAC(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2cc(OC)c(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C21H26O7/c1-6-26-16-9-8-15(12-17(16)27-7-2)21(22)28-13-14-10-18(23-3)20(25-5)19(11-14)24-4/h8-12H,6-7,13H2,1-5H3
InChIKeyQZUJYMIQADYZGQ-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.87
Rot. Bonds10

About (3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate

(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate (PubChem CID 9095626) has the molecular formula C21H26O7 and a molecular weight of 390.43 g/mol. Its IUPAC name is (3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate.

Molecular Properties

Compound Name(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
PubChem CID9095626
Molecular FormulaC21H26O7
Molecular Weight390.43 g/mol
Exact Mass390.17
IUPAC Name(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2cc(OC)c(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C21H26O7/c1-6-26-16-9-8-15(12-17(16)27-7-2)21(22)28-13-14-10-18(23-3)20(25-5)19(11-14)24-4/h8-12H,6-7,13H2,1-5H3
InChIKeyQZUJYMIQADYZGQ-UHFFFAOYSA-N
XLogP3.87
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,4,5-trimethoxyphenyl)methyl naphthalene-2-carboxylate
CID 9244590
ethyl 3,4-diethoxybenzoate
CID 586407
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
(3,4,5-trimethoxyphenyl)methyl 3-chlorobenzoate
CID 18150581
(3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate
CID 18154749
propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate
CID 9095553
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013688

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate?
The IUPAC name of (3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate (CID 9095626) is (3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate.
What is the SMILES notation for (3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate?
The canonical SMILES for (3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCc2cc(OC)c(OC)c(OC)c2)cc1OCC.
What is the InChIKey of (3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate?
The InChIKey is QZUJYMIQADYZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O7/c1-6-26-16-9-8-15(12-17(16)27-7-2)21(22)28-13-14-10-18(23-3)20(25-5)19(11-14)24-4/h8-12H,6-7,13H2,1-5H3.
What are the key properties of (3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate?
(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate has a molecular weight of 390.43 g/mol, XLogP of 3.87, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate is sourced from PubChem (CID 9095626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).