[4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate

C24H20O6 — CID 122185034

IUPAC[4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate
SMILESCOc1cc(O)cc(/C=C/c2ccc(OC(=O)c3ccccc3OC(C)=O)cc2)c1
InChIInChI=1S/C24H20O6/c1-16(25)29-23-6-4-3-5-22(23)24(27)30-20-11-9-17(10-12-20)7-8-18-13-19(26)15-21(14-18)28-2/h3-15,26H,1-2H3/b8-7+
InChIKeyBZAJMGDRFHZQKL-BQYQJAHWSA-N
MW404.42 g/mol
LogP4.72
Rot. Bonds6

About [4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate

[4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate (PubChem CID 122185034) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is [4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate.

Molecular Properties

Compound Name[4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate
PubChem CID122185034
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name[4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate
SMILESCOc1cc(O)cc(/C=C/c2ccc(OC(=O)c3ccccc3OC(C)=O)cc2)c1
InChIInChI=1S/C24H20O6/c1-16(25)29-23-6-4-3-5-22(23)24(27)30-20-11-9-17(10-12-20)7-8-18-13-19(26)15-21(14-18)28-2/h3-15,26H,1-2H3/b8-7+
InChIKeyBZAJMGDRFHZQKL-BQYQJAHWSA-N
XLogP4.72
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate 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

[3-(2-acetyloxybenzoyl)oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate
CID 118227225
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] 5-acetyloxy-2-[(dihydroxyamino)oxymethyl]benzoate
CID 89151556
[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl] 2-hydroxybenzoate
CID 76698688
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
[4-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2-methoxybenzoate
CID 3558717
[4-[(E)-2-(3-hydroxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 126551286
[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 2-acetyloxybenzoate
CID 141046408
[4-(chloromethyl)phenyl] 2-acetyloxybenzoate
CID 10859700
[2-chloro-4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] acetate
CID 68612439
phenyl 2-acetyloxy-5-methylbenzoate
CID 139745245
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate?
The IUPAC name of [4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate (CID 122185034) is [4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate.
What is the SMILES notation for [4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate?
The canonical SMILES for [4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate is COc1cc(O)cc(/C=C/c2ccc(OC(=O)c3ccccc3OC(C)=O)cc2)c1.
What is the InChIKey of [4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate?
The InChIKey is BZAJMGDRFHZQKL-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H20O6/c1-16(25)29-23-6-4-3-5-22(23)24(27)30-20-11-9-17(10-12-20)7-8-18-13-19(26)15-21(14-18)28-2/h3-15,26H,1-2H3/b8-7+.
What are the key properties of [4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate?
[4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate has a molecular weight of 404.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl] 2-acetyloxybenzoate is sourced from PubChem (CID 122185034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).