[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone

C25H24O2 — CID 145339056

IUPAC[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C25H24O2/c1-17-5-7-18(8-6-17)23(26)19-9-11-20(12-10-19)24(27)21-13-15-22(16-14-21)25(2,3)4/h5-16H,1-4H3
InChIKeyUQKYYRPHSGDLRQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.75
Rot. Bonds4

About [4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone

[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone (PubChem CID 145339056) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
PubChem CID145339056
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C25H24O2/c1-17-5-7-18(8-6-17)23(26)19-9-11-20(12-10-19)24(27)21-13-15-22(16-14-21)25(2,3)4/h5-16H,1-4H3
InChIKeyUQKYYRPHSGDLRQ-UHFFFAOYSA-N
XLogP5.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502
bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone
CID 22978857
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
1-tert-butyl-4-methylbenzene
CID 163486601
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
CID 81110791
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one
CID 105093699
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
CID 19171847

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone (CID 145339056) is [4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of [4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The InChIKey is UQKYYRPHSGDLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2/c1-17-5-7-18(8-6-17)23(26)19-9-11-20(12-10-19)24(27)21-13-15-22(16-14-21)25(2,3)4/h5-16H,1-4H3.
What are the key properties of [4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone?
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone has a molecular weight of 356.47 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 145339056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).