1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone

C23H30O — CID 13297027

IUPAC1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
SMILESCC(C)c1cc(C(C)C)c(CC(=O)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C23H30O/c1-15(2)19-12-20(16(3)4)22(21(13-19)17(5)6)14-23(24)18-10-8-7-9-11-18/h7-13,15-17H,14H2,1-6H3
InChIKeyJELXEQZOBAQQAL-UHFFFAOYSA-N
MW322.49 g/mol
LogP6.48
Rot. Bonds6

About 1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone

1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone (PubChem CID 13297027) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
PubChem CID13297027
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
SMILESCC(C)c1cc(C(C)C)c(CC(=O)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C23H30O/c1-15(2)19-12-20(16(3)4)22(21(13-19)17(5)6)14-23(24)18-10-8-7-9-11-18/h7-13,15-17H,14H2,1-6H3
InChIKeyJELXEQZOBAQQAL-UHFFFAOYSA-N
XLogP6.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene
CID 146002714
2-phenyl-1-(3-propan-2-ylphenyl)ethanone
CID 146007200
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
CID 86735896
[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442
N-[2,6-di(propan-2-yl)phenyl]-N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate
CID 22636077
sodium [2-[2,6-di(propan-2-yl)phenyl]acetyl]-[[2,4,6-tri(propan-2-yl)phenyl]methylsulfonyl]azanide
CID 23672573
2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone
CID 176753550
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
CID 137459361
2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene
CID 102406113
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone?
The IUPAC name of 1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone (CID 13297027) is 1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone?
The canonical SMILES for 1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone is CC(C)c1cc(C(C)C)c(CC(=O)c2ccccc2)c(C(C)C)c1.
What is the InChIKey of 1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone?
The InChIKey is JELXEQZOBAQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-15(2)19-12-20(16(3)4)22(21(13-19)17(5)6)14-23(24)18-10-8-7-9-11-18/h7-13,15-17H,14H2,1-6H3.
What are the key properties of 1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone?
1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone has a molecular weight of 322.49 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone is sourced from PubChem (CID 13297027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).