4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde

C15H12BrIO3 — CID 598181

IUPAC4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(I)c1OCc1ccccc1Br
InChIInChI=1S/C15H12BrIO3/c1-19-14-7-10(8-18)6-13(17)15(14)20-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3
InChIKeyBYEAACTWRVPLPT-UHFFFAOYSA-N
MW447.07 g/mol
LogP4.45
Rot. Bonds5

About 4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde

4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde (PubChem CID 598181) has the molecular formula C15H12BrIO3 and a molecular weight of 447.07 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
PubChem CID598181
Molecular FormulaC15H12BrIO3
Molecular Weight447.07 g/mol
Exact Mass445.90
IUPAC Name4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(I)c1OCc1ccccc1Br
InChIInChI=1S/C15H12BrIO3/c1-19-14-7-10(8-18)6-13(17)15(14)20-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3
InChIKeyBYEAACTWRVPLPT-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.07
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 1276566
2-benzamido-3-[4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]prop-2-enoic acid
CID 4772680
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
(4Z)-4-[[4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19670226
4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 4770099
2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde
CID 1253349
3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 2975320
(4Z)-2-(2-bromophenyl)-4-[[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19669262
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
3-[(4-formyl-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
CID 28690184
(4Z)-4-[[4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 19666973
3-bromo-5-methoxy-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62700117

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde (CID 598181) is 4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde is COc1cc(C=O)cc(I)c1OCc1ccccc1Br.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde?
The InChIKey is BYEAACTWRVPLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrIO3/c1-19-14-7-10(8-18)6-13(17)15(14)20-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3.
What are the key properties of 4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde?
4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde has a molecular weight of 447.07 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde is sourced from PubChem (CID 598181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).