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

C13H10BrIO — CID 65479031

IUPAC1-bromo-4-[(4-iodophenyl)methoxy]benzene
SMILESBrc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C13H10BrIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
InChIKeyDYTGKPVIYGWNIP-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.63
Rot. Bonds3

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

1-bromo-4-[(4-iodophenyl)methoxy]benzene (PubChem CID 65479031) has the molecular formula C13H10BrIO and a molecular weight of 389.03 g/mol. Its IUPAC name is 1-bromo-4-[(4-iodophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[(4-iodophenyl)methoxy]benzene
PubChem CID65479031
Molecular FormulaC13H10BrIO
Molecular Weight389.03 g/mol
Exact Mass387.90
IUPAC Name1-bromo-4-[(4-iodophenyl)methoxy]benzene
SMILESBrc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C13H10BrIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
InChIKeyDYTGKPVIYGWNIP-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.03
LogP ≤ 54.63
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

4-Bromodiphenyl Ether
CID 7565
4,4'-Dibromodiphenyl ether
CID 16305
1-(Bromomethyl)-3-phenoxybenzene
CID 94544
Benzyl Phenyl Ether
CID 70352
4-(4-Bromophenoxy)benzonitrile
CID 22347396
4-Bromophenetole
CID 68523
1-(Benzyloxy)-3-bromobenzene
CID 2756638
1-Bromo-4-phenylmethoxybenzene
CID 138835
1-Fluoro-4-[(4-iodophenyl)methoxy]benzene
CID 19106793
1-Iodo-4-(phenoxymethyl)benzene
CID 57494778
1-Iodo-4-[(4-iodophenoxy)methyl]benzene
CID 65479234
1-Iodo-4-[(4-methoxyphenoxy)methyl]benzene
CID 65490730

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(4-iodophenyl)methoxy]benzene?
The IUPAC name of 1-bromo-4-[(4-iodophenyl)methoxy]benzene (CID 65479031) is 1-bromo-4-[(4-iodophenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-4-[(4-iodophenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-4-[(4-iodophenyl)methoxy]benzene is Brc1ccc(OCc2ccc(I)cc2)cc1.
What is the InChIKey of 1-bromo-4-[(4-iodophenyl)methoxy]benzene?
The InChIKey is DYTGKPVIYGWNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2.
What are the key properties of 1-bromo-4-[(4-iodophenyl)methoxy]benzene?
1-bromo-4-[(4-iodophenyl)methoxy]benzene has a molecular weight of 389.03 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(4-iodophenyl)methoxy]benzene is sourced from PubChem (CID 65479031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).