[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

C22H24O6 — CID 155530627

IUPAC[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OC/C=C/c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C22H24O6/c1-24-18-10-6-5-8-16(18)11-12-22(23)28-13-7-9-17-14-20(26-3)21(27-4)15-19(17)25-2/h5-12,14-15H,13H2,1-4H3/b9-7+,12-11+
InChIKeyWJTVBXHSWGIMCZ-RLQODHJXSA-N
MW384.43 g/mol
LogP3.99
Rot. Bonds9

About [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 155530627) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID155530627
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OC/C=C/c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C22H24O6/c1-24-18-10-6-5-8-16(18)11-12-22(23)28-13-7-9-17-14-20(26-3)21(27-4)15-19(17)25-2/h5-12,14-15H,13H2,1-4H3/b9-7+,12-11+
InChIKeyWJTVBXHSWGIMCZ-RLQODHJXSA-N
XLogP3.99
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 155512360
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate
CID 130417623
phenacyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541811
(3,3-dimethyl-2-oxobutyl) 3-(2-methoxyphenyl)prop-2-enoate
CID 3632241
3-(2-methoxyphenyl)prop-2-enyl cyclopropanecarboxylate
CID 54289019
[2-(dimethylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2097828
2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium
CID 3350650
2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride
CID 71966221
ethyl (E)-3-(2-fluoro-3-methoxyphenyl)prop-2-enoate
CID 119086600
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
4-(2-methoxyphenyl)but-3-enamide
CID 170797506

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (CID 155530627) is [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1/C=C/C(=O)OC/C=C/c1cc(OC)c(OC)cc1OC.
What is the InChIKey of [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is WJTVBXHSWGIMCZ-RLQODHJXSA-N. The full InChI is InChI=1S/C22H24O6/c1-24-18-10-6-5-8-16(18)11-12-22(23)28-13-7-9-17-14-20(26-3)21(27-4)15-19(17)25-2/h5-12,14-15H,13H2,1-4H3/b9-7+,12-11+.
What are the key properties of [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 384.43 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 155530627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).