5-iodo-2-methoxy-4-methylbenzaldehyde

C9H9IO2 — CID 130739044

IUPAC5-iodo-2-methoxy-4-methylbenzaldehyde
SMILESCOc1cc(C)c(I)cc1C=O
InChIInChI=1S/C9H9IO2/c1-6-3-9(12-2)7(5-11)4-8(6)10/h3-5H,1-2H3
InChIKeyGPPZFRNMXJZEJC-UHFFFAOYSA-N
MW276.07 g/mol
LogP2.42
Rot. Bonds2

About 5-iodo-2-methoxy-4-methylbenzaldehyde

5-iodo-2-methoxy-4-methylbenzaldehyde (PubChem CID 130739044) has the molecular formula C9H9IO2 and a molecular weight of 276.07 g/mol. Its IUPAC name is 5-iodo-2-methoxy-4-methylbenzaldehyde.

Molecular Properties

Compound Name5-iodo-2-methoxy-4-methylbenzaldehyde
PubChem CID130739044
Molecular FormulaC9H9IO2
Molecular Weight276.07 g/mol
Exact Mass275.96
IUPAC Name5-iodo-2-methoxy-4-methylbenzaldehyde
SMILESCOc1cc(C)c(I)cc1C=O
InChIInChI=1S/C9H9IO2/c1-6-3-9(12-2)7(5-11)4-8(6)10/h3-5H,1-2H3
InChIKeyGPPZFRNMXJZEJC-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 52.42
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

2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
5-ethenyl-4-methoxy-2-methylbenzaldehyde
CID 167242721
5-formyl-2-iodo-4-methoxybenzamide
CID 171015652
5-formyl-2-iodo-4-methoxybenzoyl chloride
CID 171015548
1-chloro-5-iodo-2-methoxy-4-methylbenzene
CID 70931532
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4-fluoro-2-iodo-5-methoxybenzaldehyde
CID 171016936
4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde
CID 122645048
6,13,19,20,26,27-hexamethoxypentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene-5,12-dicarbaldehyde
CID 164843046

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methoxy-4-methylbenzaldehyde?
The IUPAC name of 5-iodo-2-methoxy-4-methylbenzaldehyde (CID 130739044) is 5-iodo-2-methoxy-4-methylbenzaldehyde.
What is the SMILES notation for 5-iodo-2-methoxy-4-methylbenzaldehyde?
The canonical SMILES for 5-iodo-2-methoxy-4-methylbenzaldehyde is COc1cc(C)c(I)cc1C=O.
What is the InChIKey of 5-iodo-2-methoxy-4-methylbenzaldehyde?
The InChIKey is GPPZFRNMXJZEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO2/c1-6-3-9(12-2)7(5-11)4-8(6)10/h3-5H,1-2H3.
What are the key properties of 5-iodo-2-methoxy-4-methylbenzaldehyde?
5-iodo-2-methoxy-4-methylbenzaldehyde has a molecular weight of 276.07 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methoxy-4-methylbenzaldehyde is sourced from PubChem (CID 130739044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).