3-iodo-4-methoxybenzaldehyde

C8H7IO2 — CID 1494376

IUPAC3-iodo-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1I
InChIInChI=1S/C8H7IO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChIKeyRVWOHBWQJGLXIJ-UHFFFAOYSA-N
MW262.05 g/mol
LogP2.11
Rot. Bonds2

About 3-iodo-4-methoxybenzaldehyde

3-iodo-4-methoxybenzaldehyde (PubChem CID 1494376) has the molecular formula C8H7IO2 and a molecular weight of 262.05 g/mol. Its IUPAC name is 3-iodo-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-iodo-4-methoxybenzaldehyde
PubChem CID1494376
Molecular FormulaC8H7IO2
Molecular Weight262.05 g/mol
Exact Mass261.95
IUPAC Name3-iodo-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1I
InChIInChI=1S/C8H7IO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChIKeyRVWOHBWQJGLXIJ-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxybenzaldehyde?
The IUPAC name of 3-iodo-4-methoxybenzaldehyde (CID 1494376) is 3-iodo-4-methoxybenzaldehyde.
What is the SMILES notation for 3-iodo-4-methoxybenzaldehyde?
The canonical SMILES for 3-iodo-4-methoxybenzaldehyde is COc1ccc(C=O)cc1I.
What is the InChIKey of 3-iodo-4-methoxybenzaldehyde?
The InChIKey is RVWOHBWQJGLXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3.
What are the key properties of 3-iodo-4-methoxybenzaldehyde?
3-iodo-4-methoxybenzaldehyde has a molecular weight of 262.05 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxybenzaldehyde is sourced from PubChem (CID 1494376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).