[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate

C20H22O6 — CID 6918862

IUPAC[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
SMILESCOCOc1cc(/C=C/c2ccc(OC(C)=O)cc2)cc(OCOC)c1
InChIInChI=1S/C20H22O6/c1-15(21)26-18-8-6-16(7-9-18)4-5-17-10-19(24-13-22-2)12-20(11-17)25-14-23-3/h4-12H,13-14H2,1-3H3/b5-4+
InChIKeyTZTGESNRHUMVJV-SNAWJCMRSA-N
MW358.39 g/mol
LogP3.75
Rot. Bonds9

About [4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate

[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate (PubChem CID 6918862) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is [4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
PubChem CID6918862
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
SMILESCOCOc1cc(/C=C/c2ccc(OC(C)=O)cc2)cc(OCOC)c1
InChIInChI=1S/C20H22O6/c1-15(21)26-18-8-6-16(7-9-18)4-5-17-10-19(24-13-22-2)12-20(11-17)25-14-23-3/h4-12H,13-14H2,1-3H3/b5-4+
InChIKeyTZTGESNRHUMVJV-SNAWJCMRSA-N
XLogP3.75
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.75
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': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(methoxymethoxy)-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 71496849
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol
CID 142671127
[4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
CID 5364272
[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 59301729
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450
4-[4-[(E)-2-(3,5-diacetyloxyphenyl)ethenyl]phenoxy]-4-oxobutanoic acid
CID 159057426
[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate
CID 140771666
[4-[(E)-2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 86305893
4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile
CID 57430908
[4-[(E)-2-(3-hydroxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 126551286
[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate
CID 174666755

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate?
The IUPAC name of [4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate (CID 6918862) is [4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate.
What is the SMILES notation for [4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate?
The canonical SMILES for [4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate is COCOc1cc(/C=C/c2ccc(OC(C)=O)cc2)cc(OCOC)c1.
What is the InChIKey of [4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate?
The InChIKey is TZTGESNRHUMVJV-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H22O6/c1-15(21)26-18-8-6-16(7-9-18)4-5-17-10-19(24-13-22-2)12-20(11-17)25-14-23-3/h4-12H,13-14H2,1-3H3/b5-4+.
What are the key properties of [4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate?
[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate has a molecular weight of 358.39 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate is sourced from PubChem (CID 6918862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).