3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde

C15H12ClIO3 — CID 2227802

IUPAC3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCc1cccc(I)c1
InChIInChI=1S/C15H12ClIO3/c1-19-14-7-11(8-18)6-13(16)15(14)20-9-10-3-2-4-12(17)5-10/h2-8H,9H2,1H3
InChIKeyVAVIUSDHZXSOAF-UHFFFAOYSA-N
MW402.62 g/mol
LogP4.34
Rot. Bonds5

About 3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde

3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde (PubChem CID 2227802) has the molecular formula C15H12ClIO3 and a molecular weight of 402.62 g/mol. Its IUPAC name is 3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde
PubChem CID2227802
Molecular FormulaC15H12ClIO3
Molecular Weight402.62 g/mol
Exact Mass401.95
IUPAC Name3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCc1cccc(I)c1
InChIInChI=1S/C15H12ClIO3/c1-19-14-7-11(8-18)6-13(16)15(14)20-9-10-3-2-4-12(17)5-10/h2-8H,9H2,1H3
InChIKeyVAVIUSDHZXSOAF-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.62
LogP ≤ 54.34
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 3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde 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

3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 882398
4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 4770099
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646171
3-chloro-5-methoxy-4-(phenylmethoxymethoxy)benzaldehyde
CID 102939672
(4Z)-4-[[3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19668007
5-[[3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 3386006
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 3417152
3-[(4-formyl-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
CID 28690184
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde?
The IUPAC name of 3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde (CID 2227802) is 3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde.
What is the SMILES notation for 3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde?
The canonical SMILES for 3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde is COc1cc(C=O)cc(Cl)c1OCc1cccc(I)c1.
What is the InChIKey of 3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde?
The InChIKey is VAVIUSDHZXSOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIO3/c1-19-14-7-11(8-18)6-13(16)15(14)20-9-10-3-2-4-12(17)5-10/h2-8H,9H2,1H3.
What are the key properties of 3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde?
3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde has a molecular weight of 402.62 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde is sourced from PubChem (CID 2227802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).