phenyl 3-ethenoxybenzoate

C15H12O3 — CID 67996629

IUPACphenyl 3-ethenoxybenzoate
SMILESC=COc1cccc(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C15H12O3/c1-2-17-14-10-6-7-12(11-14)15(16)18-13-8-4-3-5-9-13/h2-11H,1H2
InChIKeyGGHWQWBPZMVUDT-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.43
Rot. Bonds4

About phenyl 3-ethenoxybenzoate

phenyl 3-ethenoxybenzoate (PubChem CID 67996629) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is phenyl 3-ethenoxybenzoate.

Molecular Properties

Compound Namephenyl 3-ethenoxybenzoate
PubChem CID67996629
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Namephenyl 3-ethenoxybenzoate
SMILESC=COc1cccc(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C15H12O3/c1-2-17-14-10-6-7-12(11-14)15(16)18-13-8-4-3-5-9-13/h2-11H,1H2
InChIKeyGGHWQWBPZMVUDT-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-ethenylphenyl) benzoate
CID 18762156
phenyl 3,4-diaminobenzoate
CID 22184045
(4-bromophenyl) 3-phenoxybenzoate
CID 7900834
(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
diphenyl 5-aminobenzene-1,3-dicarboxylate
CID 67545316
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616
phenyl 3-cyclohexylbenzoate
CID 67161898
phenyl 3-(2-methylbutanoyloxy)benzoate
CID 59817149
phenyl benzoate;sulfuryl dichloride
CID 162241119
phenyl 4-formyloxybenzoate
CID 118686744
diphenyl 2-benzoylbenzene-1,4-dicarboxylate
CID 71318917

Frequently Asked Questions

What is the IUPAC name of phenyl 3-ethenoxybenzoate?
The IUPAC name of phenyl 3-ethenoxybenzoate (CID 67996629) is phenyl 3-ethenoxybenzoate.
What is the SMILES notation for phenyl 3-ethenoxybenzoate?
The canonical SMILES for phenyl 3-ethenoxybenzoate is C=COc1cccc(C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl 3-ethenoxybenzoate?
The InChIKey is GGHWQWBPZMVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-2-17-14-10-6-7-12(11-14)15(16)18-13-8-4-3-5-9-13/h2-11H,1H2.
What are the key properties of phenyl 3-ethenoxybenzoate?
phenyl 3-ethenoxybenzoate has a molecular weight of 240.26 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-ethenoxybenzoate is sourced from PubChem (CID 67996629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).