5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde

C12H9IO3 — CID 169332115

IUPAC5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)o2)c(I)c1
InChIInChI=1S/C12H9IO3/c1-15-8-2-4-10(11(13)6-8)12-5-3-9(7-14)16-12/h2-7H,1H3
InChIKeyNBKITTQWMOYNKF-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.37
Rot. Bonds3

About 5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde

5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde (PubChem CID 169332115) has the molecular formula C12H9IO3 and a molecular weight of 328.11 g/mol. Its IUPAC name is 5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde
PubChem CID169332115
Molecular FormulaC12H9IO3
Molecular Weight328.11 g/mol
Exact Mass327.96
IUPAC Name5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)o2)c(I)c1
InChIInChI=1S/C12H9IO3/c1-15-8-2-4-10(11(13)6-8)12-5-3-9(7-14)16-12/h2-7H,1H3
InChIKeyNBKITTQWMOYNKF-UHFFFAOYSA-N
XLogP3.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.37
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'}

Analyze 5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid
CID 169334858
5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde
CID 169333694
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335865
5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
5-(6-methoxy-1H-indol-4-yl)furan-2-carbaldehyde
CID 169333714
5-(4-bromo-2-methoxy-3-methylphenyl)furan-2-carbaldehyde
CID 169333130
5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde
CID 169333559
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid
CID 169335175
5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
CID 169333081
5-(4-methoxy-3-pyridinyl)furan-2-carbaldehyde
CID 130565682

Frequently Asked Questions

What is the IUPAC name of 5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde (CID 169332115) is 5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde is COc1ccc(-c2ccc(C=O)o2)c(I)c1.
What is the InChIKey of 5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde?
The InChIKey is NBKITTQWMOYNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IO3/c1-15-8-2-4-10(11(13)6-8)12-5-3-9(7-14)16-12/h2-7H,1H3.
What are the key properties of 5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde?
5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde has a molecular weight of 328.11 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169332115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).