1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone

C25H26O — CID 3391371

IUPAC1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone
SMILESCc1ccccc1C(C(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C25H26O/c1-18-10-8-9-13-22(18)23(19-11-6-5-7-12-19)24(26)20-14-16-21(17-15-20)25(2,3)4/h5-17,23H,1-4H3
InChIKeyYAKLMJDKCQSYAB-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.31
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone

1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone (PubChem CID 3391371) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone
PubChem CID3391371
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone
SMILESCc1ccccc1C(C(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C25H26O/c1-18-10-8-9-13-22(18)23(19-11-6-5-7-12-19)24(26)20-14-16-21(17-15-20)25(2,3)4/h5-17,23H,1-4H3
InChIKeyYAKLMJDKCQSYAB-UHFFFAOYSA-N
XLogP6.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(4-tert-butylphenyl)-2,3-diphenylbutane-1,4-dione
CID 102447395
4-tert-butyl-N'-(2,2-diphenylacetyl)benzohydrazide
CID 3260570
tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate
CID 165343205
2-[(2-methylphenyl)-phenylmethyl]-1,3-diphenylpropane-1,3-dione
CID 102532176
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816
1,3-bis(2-methylphenyl)-1-phenylpropan-2-one
CID 15504285
(E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43904270
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]carbamic acid
CID 141043389
2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone
CID 10360372
1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 118130022
4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
CID 4694795

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone (CID 3391371) is 1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone is Cc1ccccc1C(C(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone?
The InChIKey is YAKLMJDKCQSYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O/c1-18-10-8-9-13-22(18)23(19-11-6-5-7-12-19)24(26)20-14-16-21(17-15-20)25(2,3)4/h5-17,23H,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone?
1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone has a molecular weight of 342.48 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone is sourced from PubChem (CID 3391371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).