[5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone

C19H12BrIO — CID 175168856

IUPAC[5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)ccc1-c1ccccc1I
InChIInChI=1S/C19H12BrIO/c20-14-10-11-15(16-8-4-5-9-18(16)21)17(12-14)19(22)13-6-2-1-3-7-13/h1-12H
InChIKeyROUODBXWLNVQBT-UHFFFAOYSA-N
MW463.11 g/mol
LogP5.95
Rot. Bonds3

About [5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone

[5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone (PubChem CID 175168856) has the molecular formula C19H12BrIO and a molecular weight of 463.11 g/mol. Its IUPAC name is [5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone
PubChem CID175168856
Molecular FormulaC19H12BrIO
Molecular Weight463.11 g/mol
Exact Mass461.91
IUPAC Name[5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)ccc1-c1ccccc1I
InChIInChI=1S/C19H12BrIO/c20-14-10-11-15(16-8-4-5-9-18(16)21)17(12-14)19(22)13-6-2-1-3-7-13/h1-12H
InChIKeyROUODBXWLNVQBT-UHFFFAOYSA-N
XLogP5.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.11
LogP ≤ 55.95
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

5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde
CID 169336137
[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone
CID 166012594
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
2-(2,4-dibromophenyl)benzoic acid
CID 175057498
(2-benzoyl-4-bromophenyl)thiourea
CID 169360025
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
(4-bromo-2-iodophenyl)-(3-methylphenyl)methanone
CID 15467561
(5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 62380850
4-(4-bromobenzoyl)-2,3-dihydroinden-1-one
CID 13193100
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
N-(2-benzoyl-4-bromophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 23770948

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone?
The IUPAC name of [5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone (CID 175168856) is [5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone.
What is the SMILES notation for [5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone?
The canonical SMILES for [5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(Br)ccc1-c1ccccc1I.
What is the InChIKey of [5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone?
The InChIKey is ROUODBXWLNVQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrIO/c20-14-10-11-15(16-8-4-5-9-18(16)21)17(12-14)19(22)13-6-2-1-3-7-13/h1-12H.
What are the key properties of [5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone?
[5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone has a molecular weight of 463.11 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone is sourced from PubChem (CID 175168856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).