4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene

C13H9BrClFO — CID 82716752

IUPAC4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene
SMILESFc1cc(OCc2ccccc2Br)ccc1Cl
InChIInChI=1S/C13H9BrClFO/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-7H,8H2
InChIKeyCXKORDBOJWIHSW-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.82
Rot. Bonds3

About 4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene

4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene (PubChem CID 82716752) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene
PubChem CID82716752
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene
SMILESFc1cc(OCc2ccccc2Br)ccc1Cl
InChIInChI=1S/C13H9BrClFO/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-7H,8H2
InChIKeyCXKORDBOJWIHSW-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene
CID 82727180
4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde
CID 121004514
1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
CID 82716394
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 28543153
5-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60644006
2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
CID 82716215
4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine
CID 82716789
4-[(4-bromo-3-fluorophenoxy)methyl]-3-chloroaniline
CID 65203491

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene (CID 82716752) is 4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene is Fc1cc(OCc2ccccc2Br)ccc1Cl.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene?
The InChIKey is CXKORDBOJWIHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-7H,8H2.
What are the key properties of 4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene?
4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene has a molecular weight of 315.57 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene is sourced from PubChem (CID 82716752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).