[4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate

C17H16O3 — CID 166013014

IUPAC[4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H16O3/c1-13(18)20-17-11-7-15(8-12-17)4-2-3-14-5-9-16(19)10-6-14/h2-3,5-12,19H,4H2,1H3/b3-2+
InChIKeyAIKZIIKTBGCHPS-NSCUHMNNSA-N
MW268.31 g/mol
LogP3.57
Rot. Bonds4

About [4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate

[4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate (PubChem CID 166013014) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is [4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate
PubChem CID166013014
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name[4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H16O3/c1-13(18)20-17-11-7-15(8-12-17)4-2-3-14-5-9-16(19)10-6-14/h2-3,5-12,19H,4H2,1H3/b3-2+
InChIKeyAIKZIIKTBGCHPS-NSCUHMNNSA-N
XLogP3.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-but-2-enylphenyl) acetate
CID 57109084
[4-[(E)-but-2-enyl]phenyl] acetate
CID 56613774
[4-[(E)-3-chloroprop-1-enyl]phenyl] acetate
CID 22770523
[4-[(E)-4,4,4-trifluorobut-1-enyl]phenyl] acetate
CID 125476360
[4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110515633
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
[4-[(E)-5-(4-acetyloxyphenyl)-3-oxopent-4-enyl]phenyl] acetate
CID 102288396
[4-[(E)-2-(3-hydroxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 126551286
[4-[(Z)-3-(2-ethoxyethoxy)prop-1-enyl]phenyl] acetate
CID 70069223
tetrakis([4-[5-(4-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate);bis(palladium)
CID 173130070
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
[4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenyl] acetate
CID 139697360

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate?
The IUPAC name of [4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate (CID 166013014) is [4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate.
What is the SMILES notation for [4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate?
The canonical SMILES for [4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate is CC(=O)Oc1ccc(C/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of [4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate?
The InChIKey is AIKZIIKTBGCHPS-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H16O3/c1-13(18)20-17-11-7-15(8-12-17)4-2-3-14-5-9-16(19)10-6-14/h2-3,5-12,19H,4H2,1H3/b3-2+.
What are the key properties of [4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate?
[4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate has a molecular weight of 268.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate is sourced from PubChem (CID 166013014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).