[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate

C24H22O4 — CID 7239775

IUPAC[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C24H22O4/c1-17-8-13-22(18(2)14-17)23(25)16-28-24(26)20-11-9-19(10-12-20)15-27-21-6-4-3-5-7-21/h3-14H,15-16H2,1-2H3
InChIKeyOLMQCHYUIWWWOX-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.92
Rot. Bonds7

About [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate

[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate (PubChem CID 7239775) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
PubChem CID7239775
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C24H22O4/c1-17-8-13-22(18(2)14-17)23(25)16-28-24(26)20-11-9-19(10-12-20)15-27-21-6-4-3-5-7-21/h3-14H,15-16H2,1-2H3
InChIKeyOLMQCHYUIWWWOX-UHFFFAOYSA-N
XLogP4.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(phenoxymethyl)benzoate
CID 7239727
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 2569453
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate
CID 126188550
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-phenylmethoxybenzoate
CID 7240043
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239833
[2-(4-bromophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 18276849
[2-(4-fluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7625196
1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
CID 2462834
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239747
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628990
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate
CID 7229156
[4-methyl-2-(4-phenylmethoxybenzoyl)oxyphenyl] 4-phenylmethoxybenzoate
CID 58741237

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The IUPAC name of [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate (CID 7239775) is [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate.
What is the SMILES notation for [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The canonical SMILES for [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate is Cc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3)cc2)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The InChIKey is OLMQCHYUIWWWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-17-8-13-22(18(2)14-17)23(25)16-28-24(26)20-11-9-19(10-12-20)15-27-21-6-4-3-5-7-21/h3-14H,15-16H2,1-2H3.
What are the key properties of [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate has a molecular weight of 374.44 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate is sourced from PubChem (CID 7239775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).