[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate

C26H32O8 — CID 20530766

IUPAC[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC2CCC(COC(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C26H32O8/c1-29-21-11-9-19(13-23(21)31-3)25(27)33-15-17-5-7-18(8-6-17)16-34-26(28)20-10-12-22(30-2)24(14-20)32-4/h9-14,17-18H,5-8,15-16H2,1-4H3
InChIKeyVJOQSGXIWAIJFI-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.54
Rot. Bonds10

About [4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate

[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate (PubChem CID 20530766) has the molecular formula C26H32O8 and a molecular weight of 472.53 g/mol. Its IUPAC name is [4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
PubChem CID20530766
Molecular FormulaC26H32O8
Molecular Weight472.53 g/mol
Exact Mass472.21
IUPAC Name[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC2CCC(COC(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C26H32O8/c1-29-21-11-9-19(13-23(21)31-3)25(27)33-15-17-5-7-18(8-6-17)16-34-26(28)20-10-12-22(30-2)24(14-20)32-4/h9-14,17-18H,5-8,15-16H2,1-4H3
InChIKeyVJOQSGXIWAIJFI-UHFFFAOYSA-N
XLogP4.54
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate 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

cyclohexylmethyl 4-acetyloxy-3-methoxybenzoate
CID 75430384
cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate
CID 65382037
oxan-4-ylmethyl 4-amino-3-methoxybenzoate
CID 104783939
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl 3,4-dimethoxybenzoate
CID 122184619
methylsulfanylmethyl 3,4-dimethoxybenzoate
CID 70677984
bis[[4-(hydroxymethyl)cyclohexyl]methyl] naphthalene-2,6-dicarboxylate
CID 54489538
[4-(naphthalene-2-carbonyloxymethyl)cyclohexyl]methyl naphthalene-2-carboxylate
CID 59172646
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis[(3,4-dimethoxybenzoyl)oxy]oxan-2-yl]methyl 3,4-dimethoxybenzoate
CID 132916927
oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 86913835
[4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate
CID 59950478
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8012097

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate?
The IUPAC name of [4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate (CID 20530766) is [4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate.
What is the SMILES notation for [4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate?
The canonical SMILES for [4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate is COc1ccc(C(=O)OCC2CCC(COC(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC.
What is the InChIKey of [4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate?
The InChIKey is VJOQSGXIWAIJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O8/c1-29-21-11-9-19(13-23(21)31-3)25(27)33-15-17-5-7-18(8-6-17)16-34-26(28)20-10-12-22(30-2)24(14-20)32-4/h9-14,17-18H,5-8,15-16H2,1-4H3.
What are the key properties of [4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate?
[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate has a molecular weight of 472.53 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate is sourced from PubChem (CID 20530766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).