4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol

C23H26N2O — CID 137026893

IUPAC4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/Nc1ccccc1
InChIInChI=1S/C23H26N2O/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/h1-7,11,15-18,25-26H,8-10,12-14H2/b24-15+
InChIKeyCEEVZMGFBAJJGB-BUVRLJJBSA-N
MW346.47 g/mol
LogP5.31
Rot. Bonds4

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

4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol (PubChem CID 137026893) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol
PubChem CID137026893
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/Nc1ccccc1
InChIInChI=1S/C23H26N2O/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/h1-7,11,15-18,25-26H,8-10,12-14H2/b24-15+
InChIKeyCEEVZMGFBAJJGB-BUVRLJJBSA-N
XLogP5.31
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol
CID 175824509
[[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea
CID 168533127
[(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea
CID 137026944
2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol
CID 169383181
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381697
4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169382303
4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169386127
1-[4-(1-adamantyl)phenyl]-3-phenylthiourea
CID 3966717
3-[[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]-4-chlorobenzoic acid
CID 137085696
4-(1-adamantyl)-2-aminophenol
CID 66922251
4-chloro-2-[[4-[(5S,7R)-3-phenyl-1-adamantyl]phenyl]iminomethyl]phenol
CID 136897175

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol (CID 137026893) is 4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol is Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/Nc1ccccc1.
What is the InChIKey of 4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The InChIKey is CEEVZMGFBAJJGB-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H26N2O/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/h1-7,11,15-18,25-26H,8-10,12-14H2/b24-15+.
What are the key properties of 4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol has a molecular weight of 346.47 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 137026893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).