3-(2-iodo-3-methoxyphenyl)benzaldehyde

C14H11IO2 — CID 11078259

IUPAC3-(2-iodo-3-methoxyphenyl)benzaldehyde
SMILESCOc1cccc(-c2cccc(C=O)c2)c1I
InChIInChI=1S/C14H11IO2/c1-17-13-7-3-6-12(14(13)15)11-5-2-4-10(8-11)9-16/h2-9H,1H3
InChIKeyYHUKVHHDZPHMDG-UHFFFAOYSA-N
MW338.14 g/mol
LogP3.78
Rot. Bonds3

About 3-(2-iodo-3-methoxyphenyl)benzaldehyde

3-(2-iodo-3-methoxyphenyl)benzaldehyde (PubChem CID 11078259) has the molecular formula C14H11IO2 and a molecular weight of 338.14 g/mol. Its IUPAC name is 3-(2-iodo-3-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name3-(2-iodo-3-methoxyphenyl)benzaldehyde
PubChem CID11078259
Molecular FormulaC14H11IO2
Molecular Weight338.14 g/mol
Exact Mass337.98
IUPAC Name3-(2-iodo-3-methoxyphenyl)benzaldehyde
SMILESCOc1cccc(-c2cccc(C=O)c2)c1I
InChIInChI=1S/C14H11IO2/c1-17-13-7-3-6-12(14(13)15)11-5-2-4-10(8-11)9-16/h2-9H,1H3
InChIKeyYHUKVHHDZPHMDG-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 53.78
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

3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
CID 53220736
3-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516184
2-(3-formylphenyl)benzaldehyde
CID 57186210
3-(2,3,4,5-tetramethylphenyl)benzaldehyde
CID 87595803
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904
3-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)benzaldehyde
CID 11536183
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
3-[2-(dimethylamino)phenyl]benzaldehyde
CID 82107320
3-fluoro-4-(2-fluoro-3-methoxyphenyl)benzaldehyde
CID 82811705
3-[6-iodo-2-methoxy-3-(sulfanylmethyl)phenyl]benzaldehyde
CID 163505873
3-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172651683
5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 95931045

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodo-3-methoxyphenyl)benzaldehyde?
The IUPAC name of 3-(2-iodo-3-methoxyphenyl)benzaldehyde (CID 11078259) is 3-(2-iodo-3-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 3-(2-iodo-3-methoxyphenyl)benzaldehyde?
The canonical SMILES for 3-(2-iodo-3-methoxyphenyl)benzaldehyde is COc1cccc(-c2cccc(C=O)c2)c1I.
What is the InChIKey of 3-(2-iodo-3-methoxyphenyl)benzaldehyde?
The InChIKey is YHUKVHHDZPHMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO2/c1-17-13-7-3-6-12(14(13)15)11-5-2-4-10(8-11)9-16/h2-9H,1H3.
What are the key properties of 3-(2-iodo-3-methoxyphenyl)benzaldehyde?
3-(2-iodo-3-methoxyphenyl)benzaldehyde has a molecular weight of 338.14 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodo-3-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 11078259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).