5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde

C14H10IO6- — CID 145483773

IUPAC5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde
SMILESO=Cc1cc(O[I-]Oc2ccc(O)c(C=O)c2)ccc1O
InChIInChI=1S/C14H10IO6/c16-7-9-5-11(1-3-13(9)18)20-15-21-12-2-4-14(19)10(6-12)8-17/h1-8,18-19H/q-1
InChIKeyYVZHCNSDMHGWPU-UHFFFAOYSA-N
MW401.13 g/mol
LogP-0.90
Rot. Bonds6

About 5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde

5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde (PubChem CID 145483773) has the molecular formula C14H10IO6- and a molecular weight of 401.13 g/mol. Its IUPAC name is 5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde
PubChem CID145483773
Molecular FormulaC14H10IO6-
Molecular Weight401.13 g/mol
Exact Mass400.95
IUPAC Name5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde
SMILESO=Cc1cc(O[I-]Oc2ccc(O)c(C=O)c2)ccc1O
InChIInChI=1S/C14H10IO6/c16-7-9-5-11(1-3-13(9)18)20-15-21-12-2-4-14(19)10(6-12)8-17/h1-8,18-19H/q-1
InChIKeyYVZHCNSDMHGWPU-UHFFFAOYSA-N
XLogP-0.90
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.13
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde?
The IUPAC name of 5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde (CID 145483773) is 5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde is O=Cc1cc(O[I-]Oc2ccc(O)c(C=O)c2)ccc1O.
What is the InChIKey of 5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde?
The InChIKey is YVZHCNSDMHGWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IO6/c16-7-9-5-11(1-3-13(9)18)20-15-21-12-2-4-14(19)10(6-12)8-17/h1-8,18-19H/q-1.
What are the key properties of 5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde?
5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde has a molecular weight of 401.13 g/mol, XLogP of -0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde is sourced from PubChem (CID 145483773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).