(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone

C16H13Br3O2 — CID 107979689

IUPAC(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone
SMILESCOc1c(C)cc(Br)c(C)c1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H13Br3O2/c1-8-4-13(19)9(2)14(16(8)21-3)15(20)10-5-11(17)7-12(18)6-10/h4-7H,1-3H3
InChIKeyDAGLKOXJHRVQJA-UHFFFAOYSA-N
MW476.99 g/mol
LogP5.83
Rot. Bonds3

About (5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone (PubChem CID 107979689) has the molecular formula C16H13Br3O2 and a molecular weight of 476.99 g/mol. Its IUPAC name is (5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone
PubChem CID107979689
Molecular FormulaC16H13Br3O2
Molecular Weight476.99 g/mol
Exact Mass473.85
IUPAC Name(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone
SMILESCOc1c(C)cc(Br)c(C)c1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H13Br3O2/c1-8-4-13(19)9(2)14(16(8)21-3)15(20)10-5-11(17)7-12(18)6-10/h4-7H,1-3H3
InChIKeyDAGLKOXJHRVQJA-UHFFFAOYSA-N
XLogP5.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-bromo-2-methoxy-3,6-dimethylbenzoate
CID 50883037
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683887
(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068594
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107979582
(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756951
(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756950
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
CID 82625822
5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
CID 175135355
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
CID 84709029
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 84814002
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone?
The IUPAC name of (5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone (CID 107979689) is (5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone.
What is the SMILES notation for (5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone?
The canonical SMILES for (5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone is COc1c(C)cc(Br)c(C)c1C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone?
The InChIKey is DAGLKOXJHRVQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br3O2/c1-8-4-13(19)9(2)14(16(8)21-3)15(20)10-5-11(17)7-12(18)6-10/h4-7H,1-3H3.
What are the key properties of (5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone?
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone has a molecular weight of 476.99 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone is sourced from PubChem (CID 107979689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).