[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate

C18H16O3 — CID 139830728

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16O3/c1-3-14-6-10-16(11-7-14)18(20)21-12-17(19)15-8-4-13(2)5-9-15/h3-11H,1,12H2,2H3
InChIKeyMJHSMOCTCAMFID-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.68
Rot. Bonds5

About [2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate

[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate (PubChem CID 139830728) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate
PubChem CID139830728
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16O3/c1-3-14-6-10-16(11-7-14)18(20)21-12-17(19)15-8-4-13(2)5-9-15/h3-11H,1,12H2,2H3
InChIKeyMJHSMOCTCAMFID-UHFFFAOYSA-N
XLogP3.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 175615983
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
[2-(2,3-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 174296006
2-methoxyethyl 4-ethenylbenzoate
CID 58960727
ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
[2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate
CID 2505227
but-3-enyl 4-methylbenzoate
CID 13040417
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 882281
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
[3-(4-methylphenyl)-3-oxopropyl] 4-methylbenzoate
CID 157120542

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate (CID 139830728) is [2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate is C=Cc1ccc(C(=O)OCC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate?
The InChIKey is MJHSMOCTCAMFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-3-14-6-10-16(11-7-14)18(20)21-12-17(19)15-8-4-13(2)5-9-15/h3-11H,1,12H2,2H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate?
[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate has a molecular weight of 280.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate is sourced from PubChem (CID 139830728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).