1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone

C13H18O2 — CID 115785051

IUPAC1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone
SMILESCc1cc(C)cc(C(=O)COC(C)C)c1
InChIInChI=1S/C13H18O2/c1-9(2)15-8-13(14)12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3
InChIKeyZXCZTHMQOCIMHA-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.91
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone

1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone (PubChem CID 115785051) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone
PubChem CID115785051
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone
SMILESCc1cc(C)cc(C(=O)COC(C)C)c1
InChIInChI=1S/C13H18O2/c1-9(2)15-8-13(14)12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3
InChIKeyZXCZTHMQOCIMHA-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-propan-2-yloxyethanone
CID 114329778
1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone
CID 105106137
1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
CID 115019757
1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
1-(3,5-dimethylphenyl)-2-propan-2-ylsulfanylethanone
CID 65134221
1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone
CID 116548190
CID 162413876
CID 162413876
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
5-(3,5-dimethylphenyl)-3-methyl-5-oxopentanoic acid
CID 2758615
1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
CID 115785102

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone (CID 115785051) is 1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone is Cc1cc(C)cc(C(=O)COC(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone?
The InChIKey is ZXCZTHMQOCIMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)15-8-13(14)12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone?
1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone has a molecular weight of 206.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 115785051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).