(4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

C20H20O5 — CID 26691631

IUPAC(4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
SMILESCCC(=O)c1ccc(OC(=O)/C=C/c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H20O5/c1-4-19(21)15-6-8-16(9-7-15)25-20(22)10-5-14-11-17(23-2)13-18(12-14)24-3/h5-13H,4H2,1-3H3/b10-5+
InChIKeyQCENMOBGYAWNRO-BJMVGYQFSA-N
MW340.38 g/mol
LogP3.92
Rot. Bonds7

About (4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

(4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate (PubChem CID 26691631) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is (4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
PubChem CID26691631
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name(4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
SMILESCCC(=O)c1ccc(OC(=O)/C=C/c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H20O5/c1-4-19(21)15-6-8-16(9-7-15)25-20(22)10-5-14-11-17(23-2)13-18(12-14)24-3/h5-13H,4H2,1-3H3/b10-5+
InChIKeyQCENMOBGYAWNRO-BJMVGYQFSA-N
XLogP3.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)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

(4-nitrophenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 43013492
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 26688230
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665379
(3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate
CID 8758809
(4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8803322
(4-propanoylphenyl) prop-2-enoate
CID 86070287
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 18275961
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate
CID 18348054
(E)-3-(3,5-dimethoxyphenyl)-1-(4-pentoxyphenyl)prop-2-en-1-one
CID 70291591
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920

Frequently Asked Questions

What is the IUPAC name of (4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of (4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate (CID 26691631) is (4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate is CCC(=O)c1ccc(OC(=O)/C=C/c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of (4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The InChIKey is QCENMOBGYAWNRO-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H20O5/c1-4-19(21)15-6-8-16(9-7-15)25-20(22)10-5-14-11-17(23-2)13-18(12-14)24-3/h5-13H,4H2,1-3H3/b10-5+.
What are the key properties of (4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
(4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 26691631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).