2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one

C23H28O2 — CID 176753499

IUPAC2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one
SMILESCC(=O)c1ccc(C(C)C(=O)c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H28O2/c1-14(2)20-8-7-9-21(15(3)4)22(20)23(25)16(5)18-10-12-19(13-11-18)17(6)24/h7-16H,1-6H3
InChIKeyRTJLYLWPBWJPAN-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.12
Rot. Bonds6

About 2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one

2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one (PubChem CID 176753499) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one
PubChem CID176753499
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one
SMILESCC(=O)c1ccc(C(C)C(=O)c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H28O2/c1-14(2)20-8-7-9-21(15(3)4)22(20)23(25)16(5)18-10-12-19(13-11-18)17(6)24/h7-16H,1-6H3
InChIKeyRTJLYLWPBWJPAN-UHFFFAOYSA-N
XLogP6.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
2-(4-acetylphenyl)propanethioic S-acid
CID 87997644
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-(2-chloro-6-propan-2-ylphenyl)ethanone
CID 157111113
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
1,4-bis[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbuta-1,3-diene-1,4-diamine;nickel(2+);dichloride
CID 173246077
[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate
CID 141216683
1-(4-chloro-3-propan-2-ylphenyl)ethanone
CID 58358949
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
4-acetylcyclohepta-2,4,6-trien-1-one
CID 45085895
1-(4-acetylphenyl)ethanone;methane
CID 159515104

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one?
The IUPAC name of 2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one (CID 176753499) is 2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one.
What is the SMILES notation for 2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one?
The canonical SMILES for 2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one is CC(=O)c1ccc(C(C)C(=O)c2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one?
The InChIKey is RTJLYLWPBWJPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-14(2)20-8-7-9-21(15(3)4)22(20)23(25)16(5)18-10-12-19(13-11-18)17(6)24/h7-16H,1-6H3.
What are the key properties of 2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one?
2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one has a molecular weight of 336.48 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-1-[2,6-di(propan-2-yl)phenyl]propan-1-one is sourced from PubChem (CID 176753499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).