(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone

C₁₆H₁₄BrClO₂ — CID 115368800

About (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone

(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone (PubChem CID 115368800) has the molecular formula C₁₆H₁₄BrClO₂ and a molecular weight of 353.64 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone.

Molecular Properties

• Compound Name: (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
• PubChem CID: 115368800
• Molecular Formula: C₁₆H₁₄BrClO₂
• Molecular Weight: 353.64 g/mol
• Exact Mass: 351.99
• IUPAC Name: (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
• SMILES: COc1cc(Br)ccc1C(=O)c1cc(C)c(Cl)cc1C
• InChI: InChI=1S/C16H14BrClO2/c1-9-7-14(18)10(2)6-13(9)16(19)12-5-4-11(17)8-15(12)20-3/h4-8H,1-3H3
• InChIKey: YECPSRCHKUKBSZ-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.64
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?

The IUPAC name of (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone (CID 115368800) is (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone.

What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?

The canonical SMILES for (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone is COc1cc(Br)ccc1C(=O)c1cc(C)c(Cl)cc1C.

What is the InChIKey of (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?

The InChIKey is YECPSRCHKUKBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-9-7-14(18)10(2)6-13(9)16(19)12-5-4-11(17)8-15(12)20-3/h4-8H,1-3H3.

What are the key properties of (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?

(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-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 (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 115368800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115368800 — identifiers, structure, computed properties (public domain)

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