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

C19H19NO4 — CID 57430908

IUPAC4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile
SMILESCOCOc1cc(/C=C/c2ccc(C#N)cc2)cc(OCOC)c1
InChIInChI=1S/C19H19NO4/c1-21-13-23-18-9-17(10-19(11-18)24-14-22-2)8-5-15-3-6-16(12-20)7-4-15/h3-11H,13-14H2,1-2H3/b8-5+
InChIKeyACQBJUYMYOPHPL-VMPITWQZSA-N
MW325.36 g/mol
LogP3.69
Rot. Bonds8

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

4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile (PubChem CID 57430908) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile
PubChem CID57430908
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile
SMILESCOCOc1cc(/C=C/c2ccc(C#N)cc2)cc(OCOC)c1
InChIInChI=1S/C19H19NO4/c1-21-13-23-18-9-17(10-19(11-18)24-14-22-2)8-5-15-3-6-16(12-20)7-4-15/h3-11H,13-14H2,1-2H3/b8-5+
InChIKeyACQBJUYMYOPHPL-VMPITWQZSA-N
XLogP3.69
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol
CID 142671127
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 10895981
[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
CID 6918862
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-[(E)-2-[4-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 139175976
(E)-3-(4-cyanophenyl)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134131212
[4-[2-(4-cyanophenyl)ethenyl]phenoxy]methyl prop-2-enoate
CID 59273690
4-[2-[4-(methoxymethoxy)-2-methylpyridin-1-ium-1-yl]acetyl]benzonitrile
CID 101423076
4-[(E)-2-[3,5-bis[(E)-2-(4-bromophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 102018905
4-[(1E,3E)-4-(4-dodecoxyphenyl)buta-1,3-dienyl]benzonitrile
CID 101332752

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile (CID 57430908) is 4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile is COCOc1cc(/C=C/c2ccc(C#N)cc2)cc(OCOC)c1.
What is the InChIKey of 4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile?
The InChIKey is ACQBJUYMYOPHPL-VMPITWQZSA-N. The full InChI is InChI=1S/C19H19NO4/c1-21-13-23-18-9-17(10-19(11-18)24-14-22-2)8-5-15-3-6-16(12-20)7-4-15/h3-11H,13-14H2,1-2H3/b8-5+.
What are the key properties of 4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile?
4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile has a molecular weight of 325.36 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 57430908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).