1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene

C13H9BrFIO — CID 58564425

IUPAC1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene
SMILESFc1ccc(Br)c(OCc2ccccc2I)c1
InChIInChI=1S/C13H9BrFIO/c14-11-6-5-10(15)7-13(11)17-8-9-3-1-2-4-12(9)16/h1-7H,8H2
InChIKeyACGCQQWDSLHRIT-UHFFFAOYSA-N
MW407.02 g/mol
LogP4.77
Rot. Bonds3

About 1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene

1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene (PubChem CID 58564425) has the molecular formula C13H9BrFIO and a molecular weight of 407.02 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene
PubChem CID58564425
Molecular FormulaC13H9BrFIO
Molecular Weight407.02 g/mol
Exact Mass405.89
IUPAC Name1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene
SMILESFc1ccc(Br)c(OCc2ccccc2I)c1
InChIInChI=1S/C13H9BrFIO/c14-11-6-5-10(15)7-13(11)17-8-9-3-1-2-4-12(9)16/h1-7H,8H2
InChIKeyACGCQQWDSLHRIT-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.02
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
CID 79020415
2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460810
3-[(2-bromo-5-fluorophenoxy)methyl]-2-fluoroaniline
CID 107347993
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitroaniline
CID 107352443
5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
CID 116519513
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
CID 102663607
N-[[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62451825
2-[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]-N-methylethanamine
CID 115464733
3-[(2-bromophenoxy)methyl]-2-fluoroaniline
CID 107347891
5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole
CID 81496091
[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353395

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene?
The IUPAC name of 1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene (CID 58564425) is 1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene is Fc1ccc(Br)c(OCc2ccccc2I)c1.
What is the InChIKey of 1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene?
The InChIKey is ACGCQQWDSLHRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFIO/c14-11-6-5-10(15)7-13(11)17-8-9-3-1-2-4-12(9)16/h1-7H,8H2.
What are the key properties of 1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene?
1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene has a molecular weight of 407.02 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene is sourced from PubChem (CID 58564425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).