[2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate

C23H28O7 — CID 143603712

IUPAC[2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)OCC(CCOC)OC(=O)c2cccc(OCC)c2)c1
InChIInChI=1S/C23H28O7/c1-4-27-19-10-6-8-17(14-19)22(24)29-16-21(12-13-26-3)30-23(25)18-9-7-11-20(15-18)28-5-2/h6-11,14-15,21H,4-5,12-13,16H2,1-3H3
InChIKeySDMGJVXNFXXSQM-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.90
Rot. Bonds12

About [2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate

[2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate (PubChem CID 143603712) has the molecular formula C23H28O7 and a molecular weight of 416.47 g/mol. Its IUPAC name is [2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate.

Molecular Properties

Compound Name[2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate
PubChem CID143603712
Molecular FormulaC23H28O7
Molecular Weight416.47 g/mol
Exact Mass416.18
IUPAC Name[2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)OCC(CCOC)OC(=O)c2cccc(OCC)c2)c1
InChIInChI=1S/C23H28O7/c1-4-27-19-10-6-8-17(14-19)22(24)29-16-21(12-13-26-3)30-23(25)18-9-7-11-20(15-18)28-5-2/h6-11,14-15,21H,4-5,12-13,16H2,1-3H3
InChIKeySDMGJVXNFXXSQM-UHFFFAOYSA-N
XLogP3.90
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate 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

methyl 3-ethoxybenzoate
CID 3267781
[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
CID 14483657
(3-propoxycarbonylphenyl) 3-ethoxybenzoate
CID 17169687
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
propan-2-yl 3-propoxybenzoate
CID 60979538
2-amino-1-(3-ethoxyphenyl)-2-methoxyethanone
CID 123571041
2-(butylamino)ethyl 3-ethoxybenzoate
CID 82532358
[4-(2-methoxyethoxycarbonyl)phenyl] 3-(2-methylpropoxy)benzoate
CID 17162124
2-amino-1-(3-ethoxyphenyl)pentan-1-one
CID 116554755
[(E)-but-2-enyl] 3-(2-methoxyethoxy)benzoate
CID 60568148
5,6-bis[(3,5-dimethoxybenzoyl)oxy]hexyl 3,5-dimethoxybenzoate
CID 57070142
3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate
CID 23125966

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate?
The IUPAC name of [2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate (CID 143603712) is [2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate.
What is the SMILES notation for [2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate?
The canonical SMILES for [2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate is CCOc1cccc(C(=O)OCC(CCOC)OC(=O)c2cccc(OCC)c2)c1.
What is the InChIKey of [2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate?
The InChIKey is SDMGJVXNFXXSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O7/c1-4-27-19-10-6-8-17(14-19)22(24)29-16-21(12-13-26-3)30-23(25)18-9-7-11-20(15-18)28-5-2/h6-11,14-15,21H,4-5,12-13,16H2,1-3H3.
What are the key properties of [2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate?
[2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate has a molecular weight of 416.47 g/mol, XLogP of 3.90, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxybenzoyl)oxy-4-methoxybutyl] 3-ethoxybenzoate is sourced from PubChem (CID 143603712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).