1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone

C15H12BrIO2 — CID 91863632

IUPAC1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Br)cc2)cc1I
InChIInChI=1S/C15H12BrIO2/c1-10(18)14-7-6-13(8-15(14)17)19-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyKGNRQMBXTLQOCO-UHFFFAOYSA-N
MW431.07 g/mol
LogP4.84
Rot. Bonds4

About 1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone

1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone (PubChem CID 91863632) has the molecular formula C15H12BrIO2 and a molecular weight of 431.07 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone
PubChem CID91863632
Molecular FormulaC15H12BrIO2
Molecular Weight431.07 g/mol
Exact Mass429.91
IUPAC Name1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Br)cc2)cc1I
InChIInChI=1S/C15H12BrIO2/c1-10(18)14-7-6-13(8-15(14)17)19-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyKGNRQMBXTLQOCO-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.07
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864406
1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone
CID 91864256
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687
1-[2-bromo-4-[(3-iodophenyl)methoxy]phenyl]ethanone
CID 91863535
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91871425
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
methyl 2-acetyl-5-[(4-chlorophenyl)methoxy]benzoate
CID 91864100
1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863489
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone?
The IUPAC name of 1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone (CID 91863632) is 1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone?
The canonical SMILES for 1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone is CC(=O)c1ccc(OCc2ccc(Br)cc2)cc1I.
What is the InChIKey of 1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone?
The InChIKey is KGNRQMBXTLQOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrIO2/c1-10(18)14-7-6-13(8-15(14)17)19-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone?
1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone has a molecular weight of 431.07 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone is sourced from PubChem (CID 91863632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).