[4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate

C15H20O4 — CID 70069223

IUPAC[4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate
SMILESCCOCCOC/C=C\c1ccc(OC(C)=O)cc1
InChIInChI=1S/C15H20O4/c1-3-17-11-12-18-10-4-5-14-6-8-15(9-7-14)19-13(2)16/h4-9H,3,10-12H2,1-2H3/b5-4-
InChIKeyLWYYVEUEHKDEDP-PLNGDYQASA-N
MW264.32 g/mol
LogP2.68
Rot. Bonds8

About [4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate

[4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate (PubChem CID 70069223) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate
PubChem CID70069223
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate
SMILESCCOCCOC/C=C\c1ccc(OC(C)=O)cc1
InChIInChI=1S/C15H20O4/c1-3-17-11-12-18-10-4-5-14-6-8-15(9-7-14)19-13(2)16/h4-9H,3,10-12H2,1-2H3/b5-4-
InChIKeyLWYYVEUEHKDEDP-PLNGDYQASA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(E)-3-chloroprop-1-enyl]phenyl] acetate
CID 22770523
[4-[(E)-4,4,4-trifluorobut-1-enyl]phenyl] acetate
CID 125476360
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
[4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate
CID 166013014
[4-[3-(oxan-4-yloxy)prop-1-enyl]phenyl] acetate
CID 121451895
tetrakis([4-[5-(4-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate);bis(palladium)
CID 173130070
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
4-(3-butoxyprop-1-enyl)benzaldehyde
CID 54299174
[4-[2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]phenyl] acetate
CID 67809967
[(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enyl] acetate
CID 10611366
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
[4-[(E)-2-(3-hydroxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 126551286

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate?
The IUPAC name of [4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate (CID 70069223) is [4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate.
What is the SMILES notation for [4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate?
The canonical SMILES for [4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate is CCOCCOC/C=C\c1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate?
The InChIKey is LWYYVEUEHKDEDP-PLNGDYQASA-N. The full InChI is InChI=1S/C15H20O4/c1-3-17-11-12-18-10-4-5-14-6-8-15(9-7-14)19-13(2)16/h4-9H,3,10-12H2,1-2H3/b5-4-.
What are the key properties of [4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate?
[4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate has a molecular weight of 264.32 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate is sourced from PubChem (CID 70069223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).