4-[(2-iodophenyl)methoxy]benzaldehyde

C14H11IO2 — CID 162393344

IUPAC4-[(2-iodophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2I)cc1
InChIInChI=1S/C14H11IO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-9H,10H2
InChIKeyZXIAQBWXRJCTQD-UHFFFAOYSA-N
MW338.14 g/mol
LogP3.68
Rot. Bonds4

About 4-[(2-iodophenyl)methoxy]benzaldehyde

4-[(2-iodophenyl)methoxy]benzaldehyde (PubChem CID 162393344) has the molecular formula C14H11IO2 and a molecular weight of 338.14 g/mol. Its IUPAC name is 4-[(2-iodophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(2-iodophenyl)methoxy]benzaldehyde
PubChem CID162393344
Molecular FormulaC14H11IO2
Molecular Weight338.14 g/mol
Exact Mass337.98
IUPAC Name4-[(2-iodophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2I)cc1
InChIInChI=1S/C14H11IO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-9H,10H2
InChIKeyZXIAQBWXRJCTQD-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 53.68
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

4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde
CID 87616141
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde
CID 57181740
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone
CID 91863438
2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide
CID 176916239
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
4-(2-fluoroethoxy)benzaldehyde
CID 15058649
4-(2-phosphanylethoxy)benzaldehyde
CID 143962429

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodophenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(2-iodophenyl)methoxy]benzaldehyde (CID 162393344) is 4-[(2-iodophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(2-iodophenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(2-iodophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccccc2I)cc1.
What is the InChIKey of 4-[(2-iodophenyl)methoxy]benzaldehyde?
The InChIKey is ZXIAQBWXRJCTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-9H,10H2.
What are the key properties of 4-[(2-iodophenyl)methoxy]benzaldehyde?
4-[(2-iodophenyl)methoxy]benzaldehyde has a molecular weight of 338.14 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 162393344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).