3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

C20H22O5 — CID 68605130

IUPAC3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCCc1ccc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C20H22O5/c1-5-13-6-7-14(17(22)10-13)8-9-16(21)15-11-18(23-2)20(25-4)19(12-15)24-3/h6-12,22H,5H2,1-4H3
InChIKeyAKTAQWYZXOMCHI-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.88
Rot. Bonds7

About 3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 68605130) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID68605130
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCCc1ccc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C20H22O5/c1-5-13-6-7-14(17(22)10-13)8-9-16(21)15-11-18(23-2)20(25-4)19(12-15)24-3/h6-12,22H,5H2,1-4H3
InChIKeyAKTAQWYZXOMCHI-UHFFFAOYSA-N
XLogP3.88
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethyl-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 68605132
(E)-3-(2-hydroxy-5-methylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 162624418
3-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 53402077
(E)-3-(2,3-dimethoxyphenyl)-1-(4-ethylphenyl)prop-2-en-1-one
CID 9448295
(E)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 155806632
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 3,4,5-trimethoxybenzoate
CID 5089760
methyl 5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]furan-2-carboxylate
CID 47083650
3-(4-octadecylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 70379622
(E)-3-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5379234
(E)-1-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 39381962
3-(4-propoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4796353
3-(4-bromophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4811089

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CID 68605130) is 3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is CCc1ccc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)c(O)c1.
What is the InChIKey of 3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is AKTAQWYZXOMCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-5-13-6-7-14(17(22)10-13)8-9-16(21)15-11-18(23-2)20(25-4)19(12-15)24-3/h6-12,22H,5H2,1-4H3.
What are the key properties of 3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 342.39 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 68605130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).