acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol

C17H17IN2O3 — CID 158558109

IUPACacetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol
SMILESCC=O.COc1ccc(-n2nc3ccc(O)cc3c2I)c(C)c1
InChIInChI=1S/C15H13IN2O2.C2H4O/c1-9-7-11(20-2)4-6-14(9)18-15(16)12-8-10(19)3-5-13(12)17-18;1-2-3/h3-8,19H,1-2H3;2H,1H3
InChIKeyHQNRSTXMWYZTCY-UHFFFAOYSA-N
MW424.24 g/mol
LogP3.86
Rot. Bonds2

About acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol

acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol (PubChem CID 158558109) has the molecular formula C17H17IN2O3 and a molecular weight of 424.24 g/mol. Its IUPAC name is acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol.

Molecular Properties

Compound Nameacetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol
PubChem CID158558109
Molecular FormulaC17H17IN2O3
Molecular Weight424.24 g/mol
Exact Mass424.03
IUPAC Nameacetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol
SMILESCC=O.COc1ccc(-n2nc3ccc(O)cc3c2I)c(C)c1
InChIInChI=1S/C15H13IN2O2.C2H4O/c1-9-7-11(20-2)4-6-14(9)18-15(16)12-8-10(19)3-5-13(12)17-18;1-2-3/h3-8,19H,1-2H3;2H,1H3
InChIKeyHQNRSTXMWYZTCY-UHFFFAOYSA-N
XLogP3.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-2-(4-methoxy-2-methylphenyl)indazol-5-yl] acetate
CID 150177461
acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol
CID 158511679
2-(2-chloro-4-methoxyphenyl)-3-fluoro-5-methoxyindazole
CID 153368100
3-chloro-2-(2-chloro-4-hydroxyphenyl)indazol-5-ol
CID 152718014
3-(4-methoxy-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933322
5-ethyl-1-(4-methoxy-2-methylphenyl)triazole-4-carboxylic acid
CID 97036200
(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate
CID 88878421
5-methoxy-2-[(E)-prop-1-enyl]phenol
CID 18539717
1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene
CID 121395712
5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol
CID 159990701
methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545395
N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide
CID 175323556

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol?
The IUPAC name of acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol (CID 158558109) is acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol.
What is the SMILES notation for acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol?
The canonical SMILES for acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol is CC=O.COc1ccc(-n2nc3ccc(O)cc3c2I)c(C)c1.
What is the InChIKey of acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol?
The InChIKey is HQNRSTXMWYZTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O2.C2H4O/c1-9-7-11(20-2)4-6-14(9)18-15(16)12-8-10(19)3-5-13(12)17-18;1-2-3/h3-8,19H,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol?
acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol has a molecular weight of 424.24 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;3-iodo-2-(4-methoxy-2-methylphenyl)indazol-5-ol is sourced from PubChem (CID 158558109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).