2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene

C13H9BrClFO — CID 146003855

IUPAC2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
SMILESFc1ccccc1COc1ccc(Cl)cc1Br
InChIInChI=1S/C13H9BrClFO/c14-11-7-10(15)5-6-13(11)17-8-9-3-1-2-4-12(9)16/h1-7H,8H2
InChIKeyYBXLIQWVVQXGDA-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.82
Rot. Bonds3

About 2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene

2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene (PubChem CID 146003855) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
PubChem CID146003855
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
SMILESFc1ccccc1COc1ccc(Cl)cc1Br
InChIInChI=1S/C13H9BrClFO/c14-11-7-10(15)5-6-13(11)17-8-9-3-1-2-4-12(9)16/h1-7H,8H2
InChIKeyYBXLIQWVVQXGDA-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

1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 78955044
2-[2-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 115464894
3-[(2-bromo-4-chlorophenoxy)methyl]-2-fluorobenzoic acid
CID 107119677
5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 62103692
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457535
1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
CID 79020415
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
1-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2-chloro-3-fluorobenzene
CID 112652538
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
4-bromo-N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126213328

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene?
The IUPAC name of 2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene (CID 146003855) is 2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene?
The canonical SMILES for 2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene is Fc1ccccc1COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene?
The InChIKey is YBXLIQWVVQXGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c14-11-7-10(15)5-6-13(11)17-8-9-3-1-2-4-12(9)16/h1-7H,8H2.
What are the key properties of 2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene?
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene 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 2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 146003855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).