(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone

C17H16BrClO — CID 43378825

IUPAC(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2cc(Br)ccc2Cl)c1C
InChIInChI=1S/C17H16BrClO/c1-9-7-10(2)12(4)16(11(9)3)17(20)14-8-13(18)5-6-15(14)19/h5-8H,1-4H3
InChIKeyFDRVKDUKEAUCSU-UHFFFAOYSA-N
MW351.67 g/mol
LogP5.57
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone

(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 43378825) has the molecular formula C17H16BrClO and a molecular weight of 351.67 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID43378825
Molecular FormulaC17H16BrClO
Molecular Weight351.67 g/mol
Exact Mass350.01
IUPAC Name(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2cc(Br)ccc2Cl)c1C
InChIInChI=1S/C17H16BrClO/c1-9-7-10(2)12(4)16(11(9)3)17(20)14-8-13(18)5-6-15(14)19/h5-8H,1-4H3
InChIKeyFDRVKDUKEAUCSU-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.67
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 114368449
(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 107998192
(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 115368721
(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430855
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681918
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 82772594
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone (CID 43378825) is (5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone is Cc1cc(C)c(C)c(C(=O)c2cc(Br)ccc2Cl)c1C.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is FDRVKDUKEAUCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO/c1-9-7-10(2)12(4)16(11(9)3)17(20)14-8-13(18)5-6-15(14)19/h5-8H,1-4H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 351.67 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 43378825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).