(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone

C17H17BrO — CID 114329761

IUPAC(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(C)c(Br)c(C)c2)c1C
InChIInChI=1S/C17H17BrO/c1-10-6-5-7-15(13(10)4)17(19)14-8-11(2)16(18)12(3)9-14/h5-9H,1-4H3
InChIKeyMTYQVSMUFAEEIG-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.91
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone

(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone (PubChem CID 114329761) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
PubChem CID114329761
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(C)c(Br)c(C)c2)c1C
InChIInChI=1S/C17H17BrO/c1-10-6-5-7-15(13(10)4)17(19)14-8-11(2)16(18)12(3)9-14/h5-9H,1-4H3
InChIKeyMTYQVSMUFAEEIG-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-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone
CID 114024133
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114970147
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114329543
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586
[3-(2,3-dimethylbenzoyl)phenyl] acetate
CID 24722984
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone (CID 114329761) is (4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)c2cc(C)c(Br)c(C)c2)c1C.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone?
The InChIKey is MTYQVSMUFAEEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-10-6-5-7-15(13(10)4)17(19)14-8-11(2)16(18)12(3)9-14/h5-9H,1-4H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone?
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)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 (4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 114329761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).