[(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate

C24H24O6 — CID 56847084

IUPAC[(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate
SMILESCCC(=O)Oc1ccc(/C=C/C(=O)OC/C=C/c2ccccc2)cc1OC(=O)CC
InChIInChI=1S/C24H24O6/c1-3-22(25)29-20-14-12-19(17-21(20)30-23(26)4-2)13-15-24(27)28-16-8-11-18-9-6-5-7-10-18/h5-15,17H,3-4,16H2,1-2H3/b11-8+,15-13+
InChIKeyIHUDEMIDHGZPMK-ZHHJNAGPSA-N
MW408.45 g/mol
LogP4.59
Rot. Bonds9

About [(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate

[(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate (PubChem CID 56847084) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate
PubChem CID56847084
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name[(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate
SMILESCCC(=O)Oc1ccc(/C=C/C(=O)OC/C=C/c2ccccc2)cc1OC(=O)CC
InChIInChI=1S/C24H24O6/c1-3-22(25)29-20-14-12-19(17-21(20)30-23(26)4-2)13-15-24(27)28-16-8-11-18-9-6-5-7-10-18/h5-15,17H,3-4,16H2,1-2H3/b11-8+,15-13+
InChIKeyIHUDEMIDHGZPMK-ZHHJNAGPSA-N
XLogP4.59
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate 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

[2-butanoyloxy-4-[(E)-3-oxo-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]phenyl] butanoate
CID 56847145
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[(E)-3-phenylprop-2-enyl] butanoate;[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
CID 174922543
[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate
CID 5352723
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
CID 20693228
[2-butanoyloxy-4-[(E)-3-oxo-3-(3-phenylpropoxy)prop-1-enyl]phenyl] butanoate
CID 56847146
[(E)-3-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]prop-2-enyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 67641259
[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate
CID 53253335
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 85318213
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 36828005
[(E)-3-(4-butanoyloxy-3-methoxyphenyl)prop-2-enyl] butanoate
CID 86574372
4-[(E)-3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoyl]oxybutyl (E)-3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoate
CID 6475190

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate (CID 56847084) is [(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate is CCC(=O)Oc1ccc(/C=C/C(=O)OC/C=C/c2ccccc2)cc1OC(=O)CC.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate?
The InChIKey is IHUDEMIDHGZPMK-ZHHJNAGPSA-N. The full InChI is InChI=1S/C24H24O6/c1-3-22(25)29-20-14-12-19(17-21(20)30-23(26)4-2)13-15-24(27)28-16-8-11-18-9-6-5-7-10-18/h5-15,17H,3-4,16H2,1-2H3/b11-8+,15-13+.
What are the key properties of [(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate?
[(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate has a molecular weight of 408.45 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate is sourced from PubChem (CID 56847084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).