1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene

C13H9BrClFO — CID 134198735

IUPAC1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene
SMILESCOc1ccc(Cl)cc1-c1c(F)cccc1Br
InChIInChI=1S/C13H9BrClFO/c1-17-12-6-5-8(15)7-9(12)13-10(14)3-2-4-11(13)16/h2-7H,1H3
InChIKeyHORGFKFWEGONDY-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.92
Rot. Bonds2

About 1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene

1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene (PubChem CID 134198735) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is 1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene
PubChem CID134198735
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene
SMILESCOc1ccc(Cl)cc1-c1c(F)cccc1Br
InChIInChI=1S/C13H9BrClFO/c1-17-12-6-5-8(15)7-9(12)13-10(14)3-2-4-11(13)16/h2-7H,1H3
InChIKeyHORGFKFWEGONDY-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-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene?
The IUPAC name of 1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene (CID 134198735) is 1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene.
What is the SMILES notation for 1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene?
The canonical SMILES for 1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene is COc1ccc(Cl)cc1-c1c(F)cccc1Br.
What is the InChIKey of 1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene?
The InChIKey is HORGFKFWEGONDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c1-17-12-6-5-8(15)7-9(12)13-10(14)3-2-4-11(13)16/h2-7H,1H3.
What are the key properties of 1-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene?
1-bromo-2-(5-chloro-2-methoxyphenyl)-3-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-bromo-2-(5-chloro-2-methoxyphenyl)-3-fluorobenzene is sourced from PubChem (CID 134198735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).