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

C15H20O5 — CID 130417623

IUPAC[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate
SMILESCCC(=O)OC/C=C/c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C15H20O5/c1-5-15(16)20-8-6-7-11-9-13(18-3)14(19-4)10-12(11)17-2/h6-7,9-10H,5,8H2,1-4H3/b7-6+
InChIKeyIIICEJAMHXWUTE-VOTSOKGWSA-N
MW280.32 g/mol
LogP2.68
Rot. Bonds7

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

[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate (PubChem CID 130417623) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate.

Molecular Properties

Compound Name[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate
PubChem CID130417623
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate
SMILESCCC(=O)OC/C=C/c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C15H20O5/c1-5-15(16)20-8-6-7-11-9-13(18-3)14(19-4)10-12(11)17-2/h6-7,9-10H,5,8H2,1-4H3/b7-6+
InChIKeyIIICEJAMHXWUTE-VOTSOKGWSA-N
XLogP2.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] pyridine-4-carboxylate
CID 130417621
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 155530627
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 155512360
N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79347454
[(E)-3-(4-butanoyloxy-3-methoxyphenyl)prop-2-enyl] butanoate
CID 86574372
4-(2-formyl-4,5-dimethoxyphenyl)but-3-enamide
CID 170798764
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] docosanoate
CID 171476606
[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate
CID 141148085
[(E)-3-(4-heptanoyloxy-3-methoxyphenyl)prop-2-enyl] heptanoate
CID 86574393
3-(2-methoxyphenyl)prop-2-enyl cyclopropanecarboxylate
CID 54289019

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate?
The IUPAC name of [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate (CID 130417623) is [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate.
What is the SMILES notation for [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate?
The canonical SMILES for [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate is CCC(=O)OC/C=C/c1cc(OC)c(OC)cc1OC.
What is the InChIKey of [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate?
The InChIKey is IIICEJAMHXWUTE-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H20O5/c1-5-15(16)20-8-6-7-11-9-13(18-3)14(19-4)10-12(11)17-2/h6-7,9-10H,5,8H2,1-4H3/b7-6+.
What are the key properties of [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate?
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate has a molecular weight of 280.32 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate is sourced from PubChem (CID 130417623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).