2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde

C14H9BrI2O2 — CID 4767295

IUPAC2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde
SMILESO=Cc1cc(I)cc(I)c1OCc1cccc(Br)c1
InChIInChI=1S/C14H9BrI2O2/c15-11-3-1-2-9(4-11)8-19-14-10(7-18)5-12(16)6-13(14)17/h1-7H,8H2
InChIKeyYNOCKRMXZUEYJL-UHFFFAOYSA-N
MW542.94 g/mol
LogP5.05
Rot. Bonds4

About 2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde

2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde (PubChem CID 4767295) has the molecular formula C14H9BrI2O2 and a molecular weight of 542.94 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde
PubChem CID4767295
Molecular FormulaC14H9BrI2O2
Molecular Weight542.94 g/mol
Exact Mass541.79
IUPAC Name2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde
SMILESO=Cc1cc(I)cc(I)c1OCc1cccc(Br)c1
InChIInChI=1S/C14H9BrI2O2/c15-11-3-1-2-9(4-11)8-19-14-10(7-18)5-12(16)6-13(14)17/h1-7H,8H2
InChIKeyYNOCKRMXZUEYJL-UHFFFAOYSA-N
XLogP5.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.94
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde
CID 55225437
2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde
CID 4767221
2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
CID 43174574
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
4-[(3-bromophenyl)methoxy]-3-iodo-5-methoxybenzoic acid
CID 91683343
5-bromo-2-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679
3,5-diiodo-4-[(3-nitrophenyl)methoxy]benzaldehyde
CID 4518004
5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794412
3-[(3-bromophenyl)methoxy]-4-iodobenzoic acid
CID 114103542
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzoic acid
CID 115962071
2-bromo-5-[(2,4,6-triiodophenoxy)methyl]aniline
CID 115557500

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde (CID 4767295) is 2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde is O=Cc1cc(I)cc(I)c1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde?
The InChIKey is YNOCKRMXZUEYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrI2O2/c15-11-3-1-2-9(4-11)8-19-14-10(7-18)5-12(16)6-13(14)17/h1-7H,8H2.
What are the key properties of 2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde?
2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde has a molecular weight of 542.94 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde is sourced from PubChem (CID 4767295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).