[4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate

C18H18O4 — CID 5364272

IUPAC[4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
SMILESCOCOc1ccccc1/C=C\c1ccc(OC(C)=O)cc1
InChIInChI=1S/C18H18O4/c1-14(19)22-17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)21-13-20-2/h3-12H,13H2,1-2H3/b10-7-
InChIKeyIUDASUGHYAFGFS-YFHOEESVSA-N
MW298.34 g/mol
LogP3.77
Rot. Bonds6

About [4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate

[4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate (PubChem CID 5364272) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
PubChem CID5364272
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
SMILESCOCOc1ccccc1/C=C\c1ccc(OC(C)=O)cc1
InChIInChI=1S/C18H18O4/c1-14(19)22-17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)21-13-20-2/h3-12H,13H2,1-2H3/b10-7-
InChIKeyIUDASUGHYAFGFS-YFHOEESVSA-N
XLogP3.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate?
The IUPAC name of [4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate (CID 5364272) is [4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate.
What is the SMILES notation for [4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate?
The canonical SMILES for [4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate is COCOc1ccccc1/C=C\c1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate?
The InChIKey is IUDASUGHYAFGFS-YFHOEESVSA-N. The full InChI is InChI=1S/C18H18O4/c1-14(19)22-17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)21-13-20-2/h3-12H,13H2,1-2H3/b10-7-.
What are the key properties of [4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate?
[4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate has a molecular weight of 298.34 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate is sourced from PubChem (CID 5364272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).