[2-(1-phenylethenyl)phenyl] acetate

C16H14O2 — CID 162348205

IUPAC[2-(1-phenylethenyl)phenyl] acetate
SMILESC=C(c1ccccc1)c1ccccc1OC(C)=O
InChIInChI=1S/C16H14O2/c1-12(14-8-4-3-5-9-14)15-10-6-7-11-16(15)18-13(2)17/h3-11H,1H2,2H3
InChIKeyJXGBQDAKRKHMBP-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.67
Rot. Bonds3

About [2-(1-phenylethenyl)phenyl] acetate

[2-(1-phenylethenyl)phenyl] acetate (PubChem CID 162348205) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is [2-(1-phenylethenyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(1-phenylethenyl)phenyl] acetate
PubChem CID162348205
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name[2-(1-phenylethenyl)phenyl] acetate
SMILESC=C(c1ccccc1)c1ccccc1OC(C)=O
InChIInChI=1S/C16H14O2/c1-12(14-8-4-3-5-9-14)15-10-6-7-11-16(15)18-13(2)17/h3-11H,1H2,2H3
InChIKeyJXGBQDAKRKHMBP-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylethenyl)phenyl] acetate?
The IUPAC name of [2-(1-phenylethenyl)phenyl] acetate (CID 162348205) is [2-(1-phenylethenyl)phenyl] acetate.
What is the SMILES notation for [2-(1-phenylethenyl)phenyl] acetate?
The canonical SMILES for [2-(1-phenylethenyl)phenyl] acetate is C=C(c1ccccc1)c1ccccc1OC(C)=O.
What is the InChIKey of [2-(1-phenylethenyl)phenyl] acetate?
The InChIKey is JXGBQDAKRKHMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-12(14-8-4-3-5-9-14)15-10-6-7-11-16(15)18-13(2)17/h3-11H,1H2,2H3.
What are the key properties of [2-(1-phenylethenyl)phenyl] acetate?
[2-(1-phenylethenyl)phenyl] acetate has a molecular weight of 238.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylethenyl)phenyl] acetate is sourced from PubChem (CID 162348205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).