4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde

C15H12ClIO3 — CID 4770099

IUPAC4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(I)c1OCc1cccc(Cl)c1
InChIInChI=1S/C15H12ClIO3/c1-19-14-7-11(8-18)6-13(17)15(14)20-9-10-3-2-4-12(16)5-10/h2-8H,9H2,1H3
InChIKeyRRJJPQDRHLJOQC-UHFFFAOYSA-N
MW402.62 g/mol
LogP4.34
Rot. Bonds5

About 4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde

4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde (PubChem CID 4770099) has the molecular formula C15H12ClIO3 and a molecular weight of 402.62 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
PubChem CID4770099
Molecular FormulaC15H12ClIO3
Molecular Weight402.62 g/mol
Exact Mass401.95
IUPAC Name4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(I)c1OCc1cccc(Cl)c1
InChIInChI=1S/C15H12ClIO3/c1-19-14-7-11(8-18)6-13(17)15(14)20-9-10-3-2-4-12(16)5-10/h2-8H,9H2,1H3
InChIKeyRRJJPQDRHLJOQC-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'}

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Related Compounds

3-[(4-formyl-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
CID 28690184
3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde
CID 2227802
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126223175
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126225931
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
CID 4770151
3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde
CID 1342243
3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 882398
N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126216241
2-[(3-chlorophenyl)methoxy]-1,3-dimethoxy-5-methylbenzene
CID 59303411
4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 598181
(5E)-3-benzyl-2-benzylimino-5-[[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 126085330
(NE)-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 6898200

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde (CID 4770099) is 4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde is COc1cc(C=O)cc(I)c1OCc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde?
The InChIKey is RRJJPQDRHLJOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIO3/c1-19-14-7-11(8-18)6-13(17)15(14)20-9-10-3-2-4-12(16)5-10/h2-8H,9H2,1H3.
What are the key properties of 4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde?
4-[(3-chlorophenyl)methoxy]-3-iodo-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 4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde is sourced from PubChem (CID 4770099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).