(3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone

C17H17BrO — CID 114249214

IUPAC(3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C17H17BrO/c1-10-7-5-6-8-14(10)17(19)15-11(2)9-12(3)16(18)13(15)4/h5-9H,1-4H3
InChIKeyFUXINCMWHZAWJD-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.91
Rot. Bonds2

About (3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone

(3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone (PubChem CID 114249214) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone
PubChem CID114249214
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C17H17BrO/c1-10-7-5-6-8-14(10)17(19)15-11(2)9-12(3)16(18)13(15)4/h5-9H,1-4H3
InChIKeyFUXINCMWHZAWJD-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 114249206
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(6-hydroxy-2,3-dimethylphenyl)-(2-methylphenyl)methanone
CID 21484562
(2,5-dibromophenyl)-(2-methylphenyl)methanone
CID 114962947
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
CID 105080186
(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43337332
[3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone
CID 156662523
(3-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273
3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone?
The IUPAC name of (3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone (CID 114249214) is (3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone?
The canonical SMILES for (3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1c(C)cc(C)c(Br)c1C.
What is the InChIKey of (3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone?
The InChIKey is FUXINCMWHZAWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-10-7-5-6-8-14(10)17(19)15-11(2)9-12(3)16(18)13(15)4/h5-9H,1-4H3.
What are the key properties of (3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone?
(3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone has a molecular weight of 317.23 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone is sourced from PubChem (CID 114249214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).