1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene

C13H9BrClFO — CID 164598576

IUPAC1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene
SMILESCOc1ccc(-c2ccc(Cl)cc2F)c(Br)c1
InChIInChI=1S/C13H9BrClFO/c1-17-9-3-5-10(12(14)7-9)11-4-2-8(15)6-13(11)16/h2-7H,1H3
InChIKeyZEJVHMYSPVNBSY-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.92
Rot. Bonds2

About 1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene

1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene (PubChem CID 164598576) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene
PubChem CID164598576
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene
SMILESCOc1ccc(-c2ccc(Cl)cc2F)c(Br)c1
InChIInChI=1S/C13H9BrClFO/c1-17-9-3-5-10(12(14)7-9)11-4-2-8(15)6-13(11)16/h2-7H,1H3
InChIKeyZEJVHMYSPVNBSY-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene (CID 164598576) is 1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene is COc1ccc(-c2ccc(Cl)cc2F)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene?
The InChIKey is ZEJVHMYSPVNBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c1-17-9-3-5-10(12(14)7-9)11-4-2-8(15)6-13(11)16/h2-7H,1H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene?
1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene has a molecular weight of 315.57 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)-4-chloro-2-fluorobenzene is sourced from PubChem (CID 164598576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).