[2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate

C19H18O3 — CID 175615983

IUPAC[2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCC(=O)c2c(C)cccc2C)cc1
InChIInChI=1S/C19H18O3/c1-4-15-8-10-16(11-9-15)19(21)22-12-17(20)18-13(2)6-5-7-14(18)3/h4-11H,1,12H2,2-3H3
InChIKeyAYSFIRNDWVLFGE-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.99
Rot. Bonds5

About [2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate

[2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate (PubChem CID 175615983) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate
PubChem CID175615983
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name[2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCC(=O)c2c(C)cccc2C)cc1
InChIInChI=1S/C19H18O3/c1-4-15-8-10-16(11-9-15)19(21)22-12-17(20)18-13(2)6-5-7-14(18)3/h4-11H,1,12H2,2-3H3
InChIKeyAYSFIRNDWVLFGE-UHFFFAOYSA-N
XLogP3.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 174296006
[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 139830728
[2-(2,6-dimethylphenyl)-2-oxoethyl] 4-butan-2-ylbenzoate
CID 175615948
[2-(2,6-dimethylphenyl)-2-oxoethyl] acetate
CID 146006483
2-methoxyethyl 4-ethenylbenzoate
CID 58960727
(2-methylphenyl) 4-ethenylbenzoate
CID 101047505
ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
hexyl 4-ethenylbenzoate
CID 12541506
2-methoxyethoxymethyl 4-ethenylbenzoate
CID 138732599
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate
CID 2445149
2-prop-2-enoxyethyl 4-ethenylbenzoate
CID 58769638

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate?
The IUPAC name of [2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate (CID 175615983) is [2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate.
What is the SMILES notation for [2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate?
The canonical SMILES for [2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate is C=Cc1ccc(C(=O)OCC(=O)c2c(C)cccc2C)cc1.
What is the InChIKey of [2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate?
The InChIKey is AYSFIRNDWVLFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-4-15-8-10-16(11-9-15)19(21)22-12-17(20)18-13(2)6-5-7-14(18)3/h4-11H,1,12H2,2-3H3.
What are the key properties of [2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate?
[2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate has a molecular weight of 294.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate is sourced from PubChem (CID 175615983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).