3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol

C13H13IN2O — CID 169387063

IUPAC3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol
SMILESOc1cccc(I)c1CNNc1ccccc1
InChIInChI=1S/C13H13IN2O/c14-12-7-4-8-13(17)11(12)9-15-16-10-5-2-1-3-6-10/h1-8,15-17H,9H2
InChIKeyUVZTWGWVZUZFLZ-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.11
Rot. Bonds4

About 3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol

3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol (PubChem CID 169387063) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is 3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol
PubChem CID169387063
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC Name3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol
SMILESOc1cccc(I)c1CNNc1ccccc1
InChIInChI=1S/C13H13IN2O/c14-12-7-4-8-13(17)11(12)9-15-16-10-5-2-1-3-6-10/h1-8,15-17H,9H2
InChIKeyUVZTWGWVZUZFLZ-UHFFFAOYSA-N
XLogP3.11
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
1-[(2,6-dibromophenyl)methyl]-2-phenylhydrazine
CID 169384469
2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol
CID 169387245
2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol
CID 169384554
4-methoxy-3,5-dimethyl-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385232
3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol
CID 169385182
CID 155601419
CID 155601419
1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine
CID 169386711
2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169384285
1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384542
1-[(2-fluoro-5-iodophenyl)methyl]-2-phenylhydrazine
CID 169384471
3-chloro-2-[(2-iodoanilino)methyl]phenol
CID 113276494

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol?
The IUPAC name of 3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol (CID 169387063) is 3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol.
What is the SMILES notation for 3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol?
The canonical SMILES for 3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol is Oc1cccc(I)c1CNNc1ccccc1.
What is the InChIKey of 3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol?
The InChIKey is UVZTWGWVZUZFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O/c14-12-7-4-8-13(17)11(12)9-15-16-10-5-2-1-3-6-10/h1-8,15-17H,9H2.
What are the key properties of 3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol?
3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol has a molecular weight of 340.16 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol is sourced from PubChem (CID 169387063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).