(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone

C18H19BrO — CID 65306382

IUPAC(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone
SMILESCc1ccc(Br)cc1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H19BrO/c1-12-5-10-15(19)11-16(12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11H,1-4H3
InChIKeyPPHAFRPHOZKTHL-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.29
Rot. Bonds2

About (5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone

(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone (PubChem CID 65306382) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone
PubChem CID65306382
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone
SMILESCc1ccc(Br)cc1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H19BrO/c1-12-5-10-15(19)11-16(12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11H,1-4H3
InChIKeyPPHAFRPHOZKTHL-UHFFFAOYSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone 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

(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748
(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone
CID 65306723
(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 43805057
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
CID 65307677
(5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone
CID 115481807
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
CID 81110791
(5-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963954
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
4-(5-bromo-2-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 65306190
(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 82870554

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone (CID 65306382) is (5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone is Cc1ccc(Br)cc1C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone?
The InChIKey is PPHAFRPHOZKTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO/c1-12-5-10-15(19)11-16(12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11H,1-4H3.
What are the key properties of (5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone?
(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone has a molecular weight of 331.25 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 65306382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).