1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone

C24H32O2 — CID 160581245

IUPAC1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone
SMILESCC(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/2C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-9(13)10-7-5-6-8-11(10)12(2,3)4/h2*5-8H,1-4H3
InChIKeyRBURZIMKSXVULD-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.37
Rot. Bonds2

About 1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone

1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone (PubChem CID 160581245) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone
PubChem CID160581245
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone
SMILESCC(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/2C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-9(13)10-7-5-6-8-11(10)12(2,3)4/h2*5-8H,1-4H3
InChIKeyRBURZIMKSXVULD-UHFFFAOYSA-N
XLogP6.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-acetylphenyl)ethanone;1-tert-butyl-4-methylbenzene
CID 143426148
bis(2-tert-butylbenzoate);cadmium(2+)
CID 71436894
3-(2-acetylphenyl)-3-methylbutan-2-one
CID 90248723
1-[4-(1,1-dihydroxyethyl)phenyl]ethanone
CID 143592266
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
[2-(4-tert-butylbenzoyl)phenyl] acetate
CID 24722885
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
(4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone
CID 130471484
methyl 2-(2-acetylphenyl)-2-methylpropanoate
CID 10608941
1-(2-tert-butylphenyl)-3-methylbutan-1-one
CID 114962409
CID 157428380
CID 157428380
(4-acetylphenyl) 4-tert-butylbenzenesulfonate
CID 26946027

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone?
The IUPAC name of 1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone (CID 160581245) is 1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone.
What is the SMILES notation for 1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone?
The canonical SMILES for 1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone is CC(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone?
The InChIKey is RBURZIMKSXVULD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-9(13)10-7-5-6-8-11(10)12(2,3)4/h2*5-8H,1-4H3.
What are the key properties of 1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone?
1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone has a molecular weight of 352.52 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone is sourced from PubChem (CID 160581245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).