(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone

C19H22O — CID 43337773

IUPAC(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C19H22O/c1-13-6-11-17(14(2)12-13)18(20)15-7-9-16(10-8-15)19(3,4)5/h6-12H,1-5H3
InChIKeyCPRBSIQTFPNISK-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.83
Rot. Bonds2

About (4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone

(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone (PubChem CID 43337773) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
PubChem CID43337773
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C19H22O/c1-13-6-11-17(14(2)12-13)18(20)15-7-9-16(10-8-15)19(3,4)5/h6-12H,1-5H3
InChIKeyCPRBSIQTFPNISK-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone
CID 86189379
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
CID 81110791
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone
CID 65306382
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(2-fluoro-4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970701
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone (CID 43337773) is (4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of (4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone?
The InChIKey is CPRBSIQTFPNISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13-6-11-17(14(2)12-13)18(20)15-7-9-16(10-8-15)19(3,4)5/h6-12H,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone?
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone has a molecular weight of 266.38 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 43337773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).