(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone

C20H24O — CID 43337814

IUPAC(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCCC(C)c1ccc(C(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H24O/c1-6-14(3)17-7-9-18(10-8-17)20(21)19-15(4)11-13(2)12-16(19)5/h7-12,14H,6H2,1-5H3
InChIKeyXQBLQKGPBMALAY-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.36
Rot. Bonds4

About (4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone

(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 43337814) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID43337814
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCCC(C)c1ccc(C(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H24O/c1-6-14(3)17-7-9-18(10-8-17)20(21)19-15(4)11-13(2)12-16(19)5/h7-12,14H,6H2,1-5H3
InChIKeyXQBLQKGPBMALAY-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-butan-2-ylbenzoyl)-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586554
N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide
CID 869554
(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone
CID 116917421
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494
N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
CID 4028729
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82874721
(4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone
CID 43462697
(4-butan-2-ylphenyl)-(furan-3-yl)methanone
CID 43462695
3-(4-butan-2-ylphenyl)-4-methylbenzoic acid
CID 81476320
(3-bromo-4-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 107949643
4-butan-2-ylbenzohydrazide
CID 83386529
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone (CID 43337814) is (4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone is CCC(C)c1ccc(C(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is XQBLQKGPBMALAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-6-14(3)17-7-9-18(10-8-17)20(21)19-15(4)11-13(2)12-16(19)5/h7-12,14H,6H2,1-5H3.
What are the key properties of (4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone?
(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 280.41 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 43337814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).