[3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate

C17H16O2 — CID 132605863

IUPAC[3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate
SMILESCC(=O)Oc1cccc(/C(C)=C/c2ccccc2)c1
InChIInChI=1S/C17H16O2/c1-13(11-15-7-4-3-5-8-15)16-9-6-10-17(12-16)19-14(2)18/h3-12H,1-2H3/b13-11+
InChIKeyVNMOMPZLATXNAU-ACCUITESSA-N
MW252.31 g/mol
LogP4.17
Rot. Bonds3

About [3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate

[3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate (PubChem CID 132605863) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate
PubChem CID132605863
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name[3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate
SMILESCC(=O)Oc1cccc(/C(C)=C/c2ccccc2)c1
InChIInChI=1S/C17H16O2/c1-13(11-15-7-4-3-5-8-15)16-9-6-10-17(12-16)19-14(2)18/h3-12H,1-2H3/b13-11+
InChIKeyVNMOMPZLATXNAU-ACCUITESSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-[(E)-1-phenylprop-1-en-2-yl]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

(Z)-3-(3-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239542
[3-(2-bromo-2,2-difluoroacetyl)phenyl] acetate
CID 146010595
[3-(3-phenylbenzoyl)phenyl] acetate
CID 131863068
methyl 3-acetyloxybenzoate
CID 577969
[3-[(1Z,4Z)-5-(3-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate
CID 92532658
(3-carbamothioylphenyl) acetate
CID 97046721
[3-[(4E)-5-(3-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate
CID 5356080
[3-[(4E)-5-(3-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate
CID 5356079
(Z)-3-(4-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239549
benzyl 3-acetyloxybenzoate
CID 11334719
phenyl acetate;hydroiodide
CID 172788123
[3-(2-bromoacetyl)phenyl] acetate
CID 23289276

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate?
The IUPAC name of [3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate (CID 132605863) is [3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate.
What is the SMILES notation for [3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate?
The canonical SMILES for [3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate is CC(=O)Oc1cccc(/C(C)=C/c2ccccc2)c1.
What is the InChIKey of [3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate?
The InChIKey is VNMOMPZLATXNAU-ACCUITESSA-N. The full InChI is InChI=1S/C17H16O2/c1-13(11-15-7-4-3-5-8-15)16-9-6-10-17(12-16)19-14(2)18/h3-12H,1-2H3/b13-11+.
What are the key properties of [3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate?
[3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate has a molecular weight of 252.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-1-phenylprop-1-en-2-yl]phenyl] acetate is sourced from PubChem (CID 132605863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).