(E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one

C23H26O6 — CID 18178834

IUPAC(E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one
SMILESC=CCc1cc(/C=C/C(=O)c2ccc(OCOC)cc2)c(OC)cc1OCOC
InChIInChI=1S/C23H26O6/c1-5-6-18-13-19(22(27-4)14-23(18)29-16-26-3)9-12-21(24)17-7-10-20(11-8-17)28-15-25-2/h5,7-14H,1,6,15-16H2,2-4H3/b12-9+
InChIKeyZVXQFOQYALBSIR-FMIVXFBMSA-N
MW398.46 g/mol
LogP4.29
Rot. Bonds12

About (E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one

(E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one (PubChem CID 18178834) has the molecular formula C23H26O6 and a molecular weight of 398.46 g/mol. Its IUPAC name is (E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one
PubChem CID18178834
Molecular FormulaC23H26O6
Molecular Weight398.46 g/mol
Exact Mass398.17
IUPAC Name(E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one
SMILESC=CCc1cc(/C=C/C(=O)c2ccc(OCOC)cc2)c(OC)cc1OCOC
InChIInChI=1S/C23H26O6/c1-5-6-18-13-19(22(27-4)14-23(18)29-16-26-3)9-12-21(24)17-7-10-20(11-8-17)28-15-25-2/h5,7-14H,1,6,15-16H2,2-4H3/b12-9+
InChIKeyZVXQFOQYALBSIR-FMIVXFBMSA-N
XLogP4.29
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-dimethoxy-5-prop-2-enylphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 18178225
(E)-1-(4-prop-2-enoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 59084049
[4-[(E)-3-[4-(2,2-dimethylpropanoyloxy)-2-methoxy-5-prop-2-enylphenyl]prop-2-enoyl]phenyl] 2,2-dimethylpropanoate
CID 18178581
(E)-1-(4-prop-2-enoxyphenyl)-3-(5-prop-2-enyl-2,4-dipropoxyphenyl)prop-2-en-1-one
CID 18178519
3-(2,4-dimethoxy-5-propylphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54402984
[4-[(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)prop-2-enoyl]phenoxy]methyl 2,2-dimethylpropanoate
CID 18178766
[5-methoxy-4-[(E)-3-[4-(methoxymethoxy)phenyl]-3-oxoprop-1-enyl]-2-(2-methylbut-3-en-2-yl)phenyl] acetate
CID 18178818
(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 18178132
(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one
CID 18178286
3-(2,5-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 2860349
(E)-1-(4-aminophenyl)-3-[2,4-di(propan-2-yloxy)-5-prop-2-enylphenyl]prop-2-en-1-one
CID 18178668
3-(2,5-dimethoxyphenyl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-en-1-one
CID 69215001

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one (CID 18178834) is (E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one is C=CCc1cc(/C=C/C(=O)c2ccc(OCOC)cc2)c(OC)cc1OCOC.
What is the InChIKey of (E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one?
The InChIKey is ZVXQFOQYALBSIR-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H26O6/c1-5-6-18-13-19(22(27-4)14-23(18)29-16-26-3)9-12-21(24)17-7-10-20(11-8-17)28-15-25-2/h5,7-14H,1,6,15-16H2,2-4H3/b12-9+.
What are the key properties of (E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one?
(E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one has a molecular weight of 398.46 g/mol, XLogP of 4.29, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-methoxy-4-(methoxymethoxy)-5-prop-2-enylphenyl]-1-[4-(methoxymethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 18178834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).