[2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate

C19H20O4 — CID 23762287

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1ccc(C(=O)COC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H20O4/c1-13-4-6-16(7-5-13)18(20)11-23-19(21)12-22-17-9-14(2)8-15(3)10-17/h4-10H,11-12H2,1-3H3
InChIKeyHGRQPORIGDRFIJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.42
Rot. Bonds6

About [2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate

[2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate (PubChem CID 23762287) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
PubChem CID23762287
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1ccc(C(=O)COC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H20O4/c1-13-4-6-16(7-5-13)18(20)11-23-19(21)12-22-17-9-14(2)8-15(3)10-17/h4-10H,11-12H2,1-3H3
InChIKeyHGRQPORIGDRFIJ-UHFFFAOYSA-N
XLogP3.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
CID 39109578
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853731
1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone
CID 43412378
4-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoic acid
CID 54854887
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853705
ethyl 4-[2-[2-(3,5-dimethylphenoxy)acetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7853669
1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 63566170
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443
[2-(4-nitrophenyl)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 3310481
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853429
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 41466435

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate (CID 23762287) is [2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate is Cc1ccc(C(=O)COC(=O)COc2cc(C)cc(C)c2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
The InChIKey is HGRQPORIGDRFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-13-4-6-16(7-5-13)18(20)11-23-19(21)12-22-17-9-14(2)8-15(3)10-17/h4-10H,11-12H2,1-3H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
[2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate has a molecular weight of 312.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate is sourced from PubChem (CID 23762287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).