[1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate

C15H20O4 — CID 146006439

IUPAC[1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate
SMILESCOc1c(C)cc(C(=O)C(C)(C)OC(C)=O)cc1C
InChIInChI=1S/C15H20O4/c1-9-7-12(8-10(2)13(9)18-6)14(17)15(4,5)19-11(3)16/h7-8H,1-6H3
InChIKeyWUDKJQYQEHBIGB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.84
Rot. Bonds4

About [1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate

[1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate (PubChem CID 146006439) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate
PubChem CID146006439
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate
SMILESCOc1c(C)cc(C(=O)C(C)(C)OC(C)=O)cc1C
InChIInChI=1S/C15H20O4/c1-9-7-12(8-10(2)13(9)18-6)14(17)15(4,5)19-11(3)16/h7-8H,1-6H3
InChIKeyWUDKJQYQEHBIGB-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one
CID 96607143
[1-(4-chloro-3-methylphenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146005911
[2-methyl-1-oxo-1-(3,4,5-trifluorophenyl)propan-2-yl] acetate
CID 146008063
4-methoxy-3,5-dimethylbenzenecarbothioic S-acid
CID 116918890
2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide
CID 116924503
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
1-(3-acetyl-4-methoxy-5-methylphenyl)ethanone
CID 158699125
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
1-(4-methoxy-3,5-dimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830914
[1-(4-bromo-3-fluorophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146010846
N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine
CID 56607063
[1-(4-cyanophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146010010

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate (CID 146006439) is [1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate is COc1c(C)cc(C(=O)C(C)(C)OC(C)=O)cc1C.
What is the InChIKey of [1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate?
The InChIKey is WUDKJQYQEHBIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-7-12(8-10(2)13(9)18-6)14(17)15(4,5)19-11(3)16/h7-8H,1-6H3.
What are the key properties of [1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate?
[1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate has a molecular weight of 264.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 146006439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).