(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone

C17H16BrClO — CID 107998192

IUPAC(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2ccc(Cl)c(Br)c2)c1C
InChIInChI=1S/C17H16BrClO/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-15(19)14(18)8-13/h5-8H,1-4H3
InChIKeyATHNZDRVIAGBFF-UHFFFAOYSA-N
MW351.67 g/mol
LogP5.57
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone

(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 107998192) has the molecular formula C17H16BrClO and a molecular weight of 351.67 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID107998192
Molecular FormulaC17H16BrClO
Molecular Weight351.67 g/mol
Exact Mass350.01
IUPAC Name(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2ccc(Cl)c(Br)c2)c1C
InChIInChI=1S/C17H16BrClO/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-15(19)14(18)8-13/h5-8H,1-4H3
InChIKeyATHNZDRVIAGBFF-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

(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 107998426
(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43378825
(3-bromo-4-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 107998381
(3-bromo-4-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 115565891
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
CID 115566211
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone (CID 107998192) is (3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone is Cc1cc(C)c(C)c(C(=O)c2ccc(Cl)c(Br)c2)c1C.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is ATHNZDRVIAGBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO/c1-9-7-10(2)12(4)16(11(9)3)17(20)13-5-6-15(19)14(18)8-13/h5-8H,1-4H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
(3-bromo-4-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 (3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 107998192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).