3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde

C16H15IO3 — CID 22636947

IUPAC3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
SMILESCCOc1cc(C=O)cc(OCc2ccccc2)c1I
InChIInChI=1S/C16H15IO3/c1-2-19-14-8-13(10-18)9-15(16(14)17)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyDFHUPMRWINNDTA-UHFFFAOYSA-N
MW382.20 g/mol
LogP4.08
Rot. Bonds6

About 3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde

3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde (PubChem CID 22636947) has the molecular formula C16H15IO3 and a molecular weight of 382.20 g/mol. Its IUPAC name is 3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
PubChem CID22636947
Molecular FormulaC16H15IO3
Molecular Weight382.20 g/mol
Exact Mass382.01
IUPAC Name3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
SMILESCCOc1cc(C=O)cc(OCc2ccccc2)c1I
InChIInChI=1S/C16H15IO3/c1-2-19-14-8-13(10-18)9-15(16(14)17)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyDFHUPMRWINNDTA-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 54.08
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

4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
(3-ethoxy-5-formyl-2-phenylmethoxyphenyl)boronic acid
CID 167726759
4-phenylmethoxynaphthalene-2-carbaldehyde
CID 71757507
3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 43826418
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde
CID 1342243
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde?
The IUPAC name of 3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde (CID 22636947) is 3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde.
What is the SMILES notation for 3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde?
The canonical SMILES for 3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde is CCOc1cc(C=O)cc(OCc2ccccc2)c1I.
What is the InChIKey of 3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde?
The InChIKey is DFHUPMRWINNDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO3/c1-2-19-14-8-13(10-18)9-15(16(14)17)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde?
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde has a molecular weight of 382.20 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde is sourced from PubChem (CID 22636947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).