1-(4-tert-butyl-2-methylphenyl)ethanone;methane

C14H22O — CID 161237791

IUPAC1-(4-tert-butyl-2-methylphenyl)ethanone;methane
SMILESC.CC(=O)c1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C13H18O.CH4/c1-9-8-11(13(3,4)5)6-7-12(9)10(2)14;/h6-8H,1-5H3;1H4
InChIKeyUZPHJOABBRLXTI-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.13
Rot. Bonds1

About 1-(4-tert-butyl-2-methylphenyl)ethanone;methane

1-(4-tert-butyl-2-methylphenyl)ethanone;methane (PubChem CID 161237791) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-methylphenyl)ethanone;methane.

Molecular Properties

Compound Name1-(4-tert-butyl-2-methylphenyl)ethanone;methane
PubChem CID161237791
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(4-tert-butyl-2-methylphenyl)ethanone;methane
SMILESC.CC(=O)c1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C13H18O.CH4/c1-9-8-11(13(3,4)5)6-7-12(9)10(2)14;/h6-8H,1-5H3;1H4
InChIKeyUZPHJOABBRLXTI-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-methylbenzenecarboperoxoic acid
CID 54175949
1-(4-tert-butyl-2-methylphenyl)-3,3-dimethylbutan-1-one
CID 82498362
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
1-(2-amino-5-tert-butylphenyl)ethanone
CID 83988010
2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one
CID 82493916
3-(4-tert-butyl-2-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918241
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
1-(4-tert-butyl-2-nitrophenyl)ethanone
CID 3490198
1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
4-[2-(4-carboxy-3-methylphenyl)propan-2-yl]-2-methylbenzoic acid
CID 67542151
4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one
CID 116916617
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-methylphenyl)ethanone;methane?
The IUPAC name of 1-(4-tert-butyl-2-methylphenyl)ethanone;methane (CID 161237791) is 1-(4-tert-butyl-2-methylphenyl)ethanone;methane.
What is the SMILES notation for 1-(4-tert-butyl-2-methylphenyl)ethanone;methane?
The canonical SMILES for 1-(4-tert-butyl-2-methylphenyl)ethanone;methane is C.CC(=O)c1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-tert-butyl-2-methylphenyl)ethanone;methane?
The InChIKey is UZPHJOABBRLXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.CH4/c1-9-8-11(13(3,4)5)6-7-12(9)10(2)14;/h6-8H,1-5H3;1H4.
What are the key properties of 1-(4-tert-butyl-2-methylphenyl)ethanone;methane?
1-(4-tert-butyl-2-methylphenyl)ethanone;methane has a molecular weight of 206.33 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-methylphenyl)ethanone;methane is sourced from PubChem (CID 161237791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).