[4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate

C34H34O8 — CID 3098065

IUPAC[4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate
SMILESCCC(C)(c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C34H34O8/c1-7-34(2,24-10-14-26(15-11-24)41-32(35)22-8-18-28(37-3)30(20-22)39-5)25-12-16-27(17-13-25)42-33(36)23-9-19-29(38-4)31(21-23)40-6/h8-21H,7H2,1-6H3
InChIKeyMJGKJQZXGYEJQJ-UHFFFAOYSA-N
MW570.64 g/mol
LogP6.88
Rot. Bonds11

About [4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate

[4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate (PubChem CID 3098065) has the molecular formula C34H34O8 and a molecular weight of 570.64 g/mol. Its IUPAC name is [4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate
PubChem CID3098065
Molecular FormulaC34H34O8
Molecular Weight570.64 g/mol
Exact Mass570.23
IUPAC Name[4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate
SMILESCCC(C)(c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C34H34O8/c1-7-34(2,24-10-14-26(15-11-24)41-32(35)22-8-18-28(37-3)30(20-22)39-5)25-12-16-27(17-13-25)42-33(36)23-9-19-29(38-4)31(21-23)40-6/h8-21H,7H2,1-6H3
InChIKeyMJGKJQZXGYEJQJ-UHFFFAOYSA-N
XLogP6.88
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.64
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 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

[4-(4-butanoyloxyphenoxy)carbonylphenyl] 3,4-dimethoxybenzoate
CID 144750312
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
3-O-[4-[2-[4-(4-acetylbenzoyl)oxyphenyl]butan-2-yl]phenyl] 1-O-[4-[2-(4-methoxyphenyl)butan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 59832617
(4-acetylphenyl) 3-ethoxy-4-methoxybenzoate
CID 8764026
[4-(2-methoxy-2-oxoethyl)phenyl] 3,4-dimethoxybenzoate
CID 51536723
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate
CID 19181553
[4-(2-methylbutan-2-yl)phenyl] 4-methoxybenzoate
CID 23010917
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
3-[4-(3,4-dimethoxybenzoyl)oxyphenyl]prop-2-enoic acid
CID 70242776
[4-(2-methylbutan-2-yl)phenyl] 3-bromo-4-butoxybenzoate
CID 23012232
[4-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3514930

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate?
The IUPAC name of [4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate (CID 3098065) is [4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate is CCC(C)(c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of [4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate?
The InChIKey is MJGKJQZXGYEJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O8/c1-7-34(2,24-10-14-26(15-11-24)41-32(35)22-8-18-28(37-3)30(20-22)39-5)25-12-16-27(17-13-25)42-33(36)23-9-19-29(38-4)31(21-23)40-6/h8-21H,7H2,1-6H3.
What are the key properties of [4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate?
[4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate has a molecular weight of 570.64 g/mol, XLogP of 6.88, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(3,4-dimethoxybenzoyl)oxyphenyl]butan-2-yl]phenyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 3098065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).