3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate

C26H28O8 — CID 162946721

IUPAC3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate
SMILESCOc1cc(C=C(C)c2cc(C=CCOC(C)=O)cc(OC)c2OC(C)=O)ccc1OC(C)=O
InChIInChI=1S/C26H28O8/c1-16(12-21-9-10-23(33-18(3)28)24(14-21)30-5)22-13-20(8-7-11-32-17(2)27)15-25(31-6)26(22)34-19(4)29/h7-10,12-15H,11H2,1-6H3
InChIKeyWIHBKKZAZRGEBB-UHFFFAOYSA-N
MW468.50 g/mol
LogP4.69
Rot. Bonds9

About 3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate

3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate (PubChem CID 162946721) has the molecular formula C26H28O8 and a molecular weight of 468.50 g/mol. Its IUPAC name is 3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate.

Molecular Properties

Compound Name3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate
PubChem CID162946721
Molecular FormulaC26H28O8
Molecular Weight468.50 g/mol
Exact Mass468.18
IUPAC Name3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate
SMILESCOc1cc(C=C(C)c2cc(C=CCOC(C)=O)cc(OC)c2OC(C)=O)ccc1OC(C)=O
InChIInChI=1S/C26H28O8/c1-16(12-21-9-10-23(33-18(3)28)24(14-21)30-5)22-13-20(8-7-11-32-17(2)27)15-25(31-6)26(22)34-19(4)29/h7-10,12-15H,11H2,1-6H3
InChIKeyWIHBKKZAZRGEBB-UHFFFAOYSA-N
XLogP4.69
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate 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

Cyclofenil
CID 2898
Eugenyl benzoate
CID 62362
Eugenyl Acetate
CID 7136
Terameprocol
CID 476861
Isoeugenyl acetate
CID 876160
Sobetirome
CID 9862248
Eugenol isovalerate
CID 3085213
Isoeugenol, acetate
CID 7137
P-Hydroxyphenethyl Trans-Ferulate
CID 637308
1-(Benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
CID 764139
Epicatechin Pentaacetate
CID 5317058
1'-Acetoxyeugenol acetate
CID 4484222

Frequently Asked Questions

What is the IUPAC name of 3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate?
The IUPAC name of 3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate (CID 162946721) is 3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate.
What is the SMILES notation for 3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate?
The canonical SMILES for 3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate is COc1cc(C=C(C)c2cc(C=CCOC(C)=O)cc(OC)c2OC(C)=O)ccc1OC(C)=O.
What is the InChIKey of 3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate?
The InChIKey is WIHBKKZAZRGEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O8/c1-16(12-21-9-10-23(33-18(3)28)24(14-21)30-5)22-13-20(8-7-11-32-17(2)27)15-25(31-6)26(22)34-19(4)29/h7-10,12-15H,11H2,1-6H3.
What are the key properties of 3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate?
3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate has a molecular weight of 468.50 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-acetyloxy-3-[1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl acetate is sourced from PubChem (CID 162946721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).