4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde

C14H11IO3 — CID 22456878

IUPAC4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
SMILESO=Cc1cc(I)c(O)c(OCc2ccccc2)c1
InChIInChI=1S/C14H11IO3/c15-12-6-11(8-16)7-13(14(12)17)18-9-10-4-2-1-3-5-10/h1-8,17H,9H2
InChIKeyIMLOGEWSOSQHRJ-UHFFFAOYSA-N
MW354.14 g/mol
LogP3.39
Rot. Bonds4

About 4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde

4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde (PubChem CID 22456878) has the molecular formula C14H11IO3 and a molecular weight of 354.14 g/mol. Its IUPAC name is 4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
PubChem CID22456878
Molecular FormulaC14H11IO3
Molecular Weight354.14 g/mol
Exact Mass353.98
IUPAC Name4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
SMILESO=Cc1cc(I)c(O)c(OCc2ccccc2)c1
InChIInChI=1S/C14H11IO3/c15-12-6-11(8-16)7-13(14(12)17)18-9-10-4-2-1-3-5-10/h1-8,17H,9H2
InChIKeyIMLOGEWSOSQHRJ-UHFFFAOYSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 53.39
H-Bond Donors ≤ 51
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-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
4-phenylmethoxynaphthalene-2-carbaldehyde
CID 71757507
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 21211244
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde?
The IUPAC name of 4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde (CID 22456878) is 4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde.
What is the SMILES notation for 4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde?
The canonical SMILES for 4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde is O=Cc1cc(I)c(O)c(OCc2ccccc2)c1.
What is the InChIKey of 4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde?
The InChIKey is IMLOGEWSOSQHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO3/c15-12-6-11(8-16)7-13(14(12)17)18-9-10-4-2-1-3-5-10/h1-8,17H,9H2.
What are the key properties of 4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde?
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde has a molecular weight of 354.14 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde is sourced from PubChem (CID 22456878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).