1-(bromomethyl)-2-(4-iodophenoxy)benzene

C13H10BrIO — CID 107087507

IUPAC1-(bromomethyl)-2-(4-iodophenoxy)benzene
SMILESBrCc1ccccc1Oc1ccc(I)cc1
InChIInChI=1S/C13H10BrIO/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12/h1-8H,9H2
InChIKeyYDWHPDVBCPXTRQ-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.98
Rot. Bonds3

About 1-(bromomethyl)-2-(4-iodophenoxy)benzene

1-(bromomethyl)-2-(4-iodophenoxy)benzene (PubChem CID 107087507) has the molecular formula C13H10BrIO and a molecular weight of 389.03 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(4-iodophenoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(4-iodophenoxy)benzene
PubChem CID107087507
Molecular FormulaC13H10BrIO
Molecular Weight389.03 g/mol
Exact Mass387.90
IUPAC Name1-(bromomethyl)-2-(4-iodophenoxy)benzene
SMILESBrCc1ccccc1Oc1ccc(I)cc1
InChIInChI=1S/C13H10BrIO/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12/h1-8H,9H2
InChIKeyYDWHPDVBCPXTRQ-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-iodophenoxy)phenyl]propan-2-amine
CID 63802805
1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene
CID 75365477
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
CID 107088974
2-(4-iodophenoxy)phenol
CID 90870706
4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene
CID 107086359
1-(bromomethyl)-4-(4-iodophenoxy)benzene
CID 107087514
7-[2-(bromomethyl)phenoxy]quinoline
CID 107314164
2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene
CID 114060623
1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
2-[2-(bromomethyl)phenoxy]benzonitrile
CID 107086481
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(4-iodophenoxy)benzene?
The IUPAC name of 1-(bromomethyl)-2-(4-iodophenoxy)benzene (CID 107087507) is 1-(bromomethyl)-2-(4-iodophenoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-2-(4-iodophenoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-2-(4-iodophenoxy)benzene is BrCc1ccccc1Oc1ccc(I)cc1.
What is the InChIKey of 1-(bromomethyl)-2-(4-iodophenoxy)benzene?
The InChIKey is YDWHPDVBCPXTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrIO/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12/h1-8H,9H2.
What are the key properties of 1-(bromomethyl)-2-(4-iodophenoxy)benzene?
1-(bromomethyl)-2-(4-iodophenoxy)benzene has a molecular weight of 389.03 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(4-iodophenoxy)benzene is sourced from PubChem (CID 107087507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).