4-iodo-3,5-dimethoxybenzaldehyde

C9H9IO3 — CID 11300800

IUPAC4-iodo-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1I
InChIInChI=1S/C9H9IO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3
InChIKeyYXRBJODOAIIFRR-UHFFFAOYSA-N
MW292.07 g/mol
LogP2.12
Rot. Bonds3

About 4-iodo-3,5-dimethoxybenzaldehyde

4-iodo-3,5-dimethoxybenzaldehyde (PubChem CID 11300800) has the molecular formula C9H9IO3 and a molecular weight of 292.07 g/mol. Its IUPAC name is 4-iodo-3,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-iodo-3,5-dimethoxybenzaldehyde
PubChem CID11300800
Molecular FormulaC9H9IO3
Molecular Weight292.07 g/mol
Exact Mass291.96
IUPAC Name4-iodo-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1I
InChIInChI=1S/C9H9IO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3
InChIKeyYXRBJODOAIIFRR-UHFFFAOYSA-N
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 52.12
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

ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929
N-(4-formyl-2,6-dimethoxyphenyl)formamide
CID 21281019
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde
CID 15410462
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
2,4-diiodo-6-methoxybenzaldehyde
CID 119011495
3-iodo-5-methoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 1247963
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enenitrile
CID 169484202
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde
CID 148626263

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3,5-dimethoxybenzaldehyde?
The IUPAC name of 4-iodo-3,5-dimethoxybenzaldehyde (CID 11300800) is 4-iodo-3,5-dimethoxybenzaldehyde.
What is the SMILES notation for 4-iodo-3,5-dimethoxybenzaldehyde?
The canonical SMILES for 4-iodo-3,5-dimethoxybenzaldehyde is COc1cc(C=O)cc(OC)c1I.
What is the InChIKey of 4-iodo-3,5-dimethoxybenzaldehyde?
The InChIKey is YXRBJODOAIIFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3.
What are the key properties of 4-iodo-3,5-dimethoxybenzaldehyde?
4-iodo-3,5-dimethoxybenzaldehyde has a molecular weight of 292.07 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,5-dimethoxybenzaldehyde is sourced from PubChem (CID 11300800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).