(3-ethenylphenyl) benzoate

C15H12O2 — CID 18762156

IUPAC(3-ethenylphenyl) benzoate
SMILESC=Cc1cccc(OC(=O)c2ccccc2)c1
InChIInChI=1S/C15H12O2/c1-2-12-7-6-10-14(11-12)17-15(16)13-8-4-3-5-9-13/h2-11H,1H2
InChIKeyXLHPGGHANZVGLU-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.55
Rot. Bonds3

About (3-ethenylphenyl) benzoate

(3-ethenylphenyl) benzoate (PubChem CID 18762156) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-ethenylphenyl) benzoate.

Molecular Properties

Compound Name(3-ethenylphenyl) benzoate
PubChem CID18762156
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(3-ethenylphenyl) benzoate
SMILESC=Cc1cccc(OC(=O)c2ccccc2)c1
InChIInChI=1S/C15H12O2/c1-2-12-7-6-10-14(11-12)17-15(16)13-8-4-3-5-9-13/h2-11H,1H2
InChIKeyXLHPGGHANZVGLU-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
[3-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-ethenylbenzoate
CID 102244216
phenyl 3-ethenoxybenzoate
CID 67996629
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-fluorobenzoate
CID 5087937
[3-hydroxy-5-[(E)-2-phenylethenyl]phenyl] benzoate
CID 15940306
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-methoxybenzoate
CID 5088437
(3-formylphenyl) 4-methylbenzoate
CID 807171
1-ethenyl-3-[(E)-2-fluoro-2-phenylethenoxy]benzene
CID 175955639
(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010
benzene-1,3-dicarboxylic acid;styrene
CID 159798879
[3-[(E)-2-cyano-2-phenylethenyl]phenyl] 4-fluorobenzoate
CID 39114979

Frequently Asked Questions

What is the IUPAC name of (3-ethenylphenyl) benzoate?
The IUPAC name of (3-ethenylphenyl) benzoate (CID 18762156) is (3-ethenylphenyl) benzoate.
What is the SMILES notation for (3-ethenylphenyl) benzoate?
The canonical SMILES for (3-ethenylphenyl) benzoate is C=Cc1cccc(OC(=O)c2ccccc2)c1.
What is the InChIKey of (3-ethenylphenyl) benzoate?
The InChIKey is XLHPGGHANZVGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-2-12-7-6-10-14(11-12)17-15(16)13-8-4-3-5-9-13/h2-11H,1H2.
What are the key properties of (3-ethenylphenyl) benzoate?
(3-ethenylphenyl) benzoate has a molecular weight of 224.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenylphenyl) benzoate is sourced from PubChem (CID 18762156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).