(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone

C17H17BrO — CID 81110554

IUPAC(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(C)ccc2Br)c(C)c1
InChIInChI=1S/C17H17BrO/c1-10-5-6-15(18)14(9-10)17(19)16-12(3)7-11(2)8-13(16)4/h5-9H,1-4H3
InChIKeyGGPVNWMWZDDJLU-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.91
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone

(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 81110554) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID81110554
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(C)ccc2Br)c(C)c1
InChIInChI=1S/C17H17BrO/c1-10-5-6-15(18)14(9-10)17(19)16-12(3)7-11(2)8-13(16)4/h5-9H,1-4H3
InChIKeyGGPVNWMWZDDJLU-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

(2-bromo-5-methylphenyl)-(2,3-dibromo-5,6-dihydroxyphenyl)methanone
CID 145336946
(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319368
(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883185
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
(2,4-dibromophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 107944889
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337541
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
CID 81110791
(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 81109831
methyl 2-bromo-5-methylbenzoate
CID 15110996

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone (CID 81110554) is (2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cc(C)ccc2Br)c(C)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is GGPVNWMWZDDJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-10-5-6-15(18)14(9-10)17(19)16-12(3)7-11(2)8-13(16)4/h5-9H,1-4H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone?
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)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 (2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 81110554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).