(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

C22H24O4 — CID 18178132

IUPAC(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESC=CCc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OCC)cc1OCC
InChIInChI=1S/C22H24O4/c1-4-7-17-14-18(22(26-6-3)15-21(17)25-5-2)10-13-20(24)16-8-11-19(23)12-9-16/h4,8-15,23H,1,5-7H2,2-3H3/b13-10+
InChIKeyWPIQNDCPENUMDO-JLHYYAGUSA-N
MW352.43 g/mol
LogP4.81
Rot. Bonds9

About (E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 18178132) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is (E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID18178132
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESC=CCc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OCC)cc1OCC
InChIInChI=1S/C22H24O4/c1-4-7-17-14-18(22(26-6-3)15-21(17)25-5-2)10-13-20(24)16-8-11-19(23)12-9-16/h4,8-15,23H,1,5-7H2,2-3H3/b13-10+
InChIKeyWPIQNDCPENUMDO-JLHYYAGUSA-N
XLogP4.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one
CID 18178286
[4-[(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)prop-2-enoyl]phenoxy]methyl 2,2-dimethylpropanoate
CID 18178766
(E)-1-(4-prop-2-enoxyphenyl)-3-(5-prop-2-enyl-2,4-dipropoxyphenyl)prop-2-en-1-one
CID 18178519
[4-[3-[5-but-2-enyl-4-(2,2-dimethylpropanoyloxy)-2-ethoxyphenyl]prop-2-enoyl]phenyl] 2,2-dimethylpropanoate;[4-[3-[4-(2,2-dimethylpropanoyloxy)-2-ethoxy-5-prop-2-enylphenyl]prop-2-enoyl]phenyl] 2,2-dimethylpropanoate
CID 173345340
(E)-1-(4-hydroxyphenyl)-3-(4-hydroxy-2-propan-2-yloxy-5-prop-2-enylphenyl)prop-2-en-1-one
CID 18178602
(E)-3-(2,4-dimethoxy-5-prop-2-enylphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 18178225
(E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 18178834
(E)-3-[4-hydroxy-2-methoxy-3,5-bis(prop-2-enyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 18178142
(E)-1-(4-aminophenyl)-3-[2,4-di(propan-2-yloxy)-5-prop-2-enylphenyl]prop-2-en-1-one
CID 18178668
(E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 67778530
[4-[(E)-3-[4-(2,2-dimethylpropanoyloxy)-2-methoxy-5-prop-2-enylphenyl]prop-2-enoyl]phenyl] 2,2-dimethylpropanoate
CID 18178581
(E)-3-(5-bromo-2-ethoxyphenyl)-1-(4-bromophenyl)prop-2-en-1-one
CID 19541408

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (CID 18178132) is (E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one is C=CCc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OCC)cc1OCC.
What is the InChIKey of (E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is WPIQNDCPENUMDO-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H24O4/c1-4-7-17-14-18(22(26-6-3)15-21(17)25-5-2)10-13-20(24)16-8-11-19(23)12-9-16/h4,8-15,23H,1,5-7H2,2-3H3/b13-10+.
What are the key properties of (E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 352.43 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 18178132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).