4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol

C23H28N2O — CID 169386127

IUPAC4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol
SMILESOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1CNNc1ccccc1
InChIInChI=1S/C23H28N2O/c26-22-7-6-20(11-19(22)15-24-25-21-4-2-1-3-5-21)23-12-16-8-17(13-23)10-18(9-16)14-23/h1-7,11,16-18,24-26H,8-10,12-15H2
InChIKeyUHPHPFSDVCUSLT-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.98
Rot. Bonds5

About 4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol

4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol (PubChem CID 169386127) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol
PubChem CID169386127
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol
SMILESOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1CNNc1ccccc1
InChIInChI=1S/C23H28N2O/c26-22-7-6-20(11-19(22)15-24-25-21-4-2-1-3-5-21)23-12-16-8-17(13-23)10-18(9-16)14-23/h1-7,11,16-18,24-26H,8-10,12-15H2
InChIKeyUHPHPFSDVCUSLT-UHFFFAOYSA-N
XLogP4.98
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol?
The IUPAC name of 4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol (CID 169386127) is 4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol.
What is the SMILES notation for 4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol?
The canonical SMILES for 4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol is Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1CNNc1ccccc1.
What is the InChIKey of 4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol?
The InChIKey is UHPHPFSDVCUSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c26-22-7-6-20(11-19(22)15-24-25-21-4-2-1-3-5-21)23-12-16-8-17(13-23)10-18(9-16)14-23/h1-7,11,16-18,24-26H,8-10,12-15H2.
What are the key properties of 4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol?
4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol has a molecular weight of 348.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol is sourced from PubChem (CID 169386127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).