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

C13H9BrClFO — CID 146004192

IUPAC1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1OCc1ccccc1Br
InChIInChI=1S/C13H9BrClFO/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(15)7-12(13)16/h1-7H,8H2
InChIKeyYJKPVJRVOAKUGW-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.82
Rot. Bonds3

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

1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene (PubChem CID 146004192) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
PubChem CID146004192
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1OCc1ccccc1Br
InChIInChI=1S/C13H9BrClFO/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(15)7-12(13)16/h1-7H,8H2
InChIKeyYJKPVJRVOAKUGW-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-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 114672951
2-[(2-bromophenyl)methoxy]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82824507
N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687726
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene
CID 82716752
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
4-[(2-bromophenyl)methoxy]-2-chloroquinoline
CID 42597758
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene?
The IUPAC name of 1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene (CID 146004192) is 1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene is Fc1cc(Cl)ccc1OCc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene?
The InChIKey is YJKPVJRVOAKUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(15)7-12(13)16/h1-7H,8H2.
What are the key properties of 1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene?
1-[(2-bromophenyl)methoxy]-4-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 1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene is sourced from PubChem (CID 146004192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).