(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone

C16H14BrClO2 — CID 106681918

IUPAC(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H14BrClO2/c1-9-6-10(2)15(14(7-9)20-3)16(19)12-8-11(17)4-5-13(12)18/h4-8H,1-3H3
InChIKeyMBBFQHMJHDSPPM-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.96
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone

(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone (PubChem CID 106681918) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
PubChem CID106681918
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H14BrClO2/c1-9-6-10(2)15(14(7-9)20-3)16(19)12-8-11(17)4-5-13(12)18/h4-8H,1-3H3
InChIKeyMBBFQHMJHDSPPM-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43378825
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
(5-bromofuran-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681869
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965715
(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
CID 114054374

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone (CID 106681918) is (5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone is COc1cc(C)cc(C)c1C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The InChIKey is MBBFQHMJHDSPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-9-6-10(2)15(14(7-9)20-3)16(19)12-8-11(17)4-5-13(12)18/h4-8H,1-3H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone has a molecular weight of 353.64 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106681918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).