4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol

C23H25FN2O — CID 175824509

IUPAC4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=NNc1ccccc1F
InChIInChI=1S/C23H25FN2O/c24-20-3-1-2-4-21(20)26-25-14-18-10-19(5-6-22(18)27)23-11-15-7-16(12-23)9-17(8-15)13-23/h1-6,10,14-17,26-27H,7-9,11-13H2
InChIKeyBMDJMCRUGQRWIW-UHFFFAOYSA-N
MW364.46 g/mol
LogP5.45
Rot. Bonds4

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

4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 175824509) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is 4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol
PubChem CID175824509
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=NNc1ccccc1F
InChIInChI=1S/C23H25FN2O/c24-20-3-1-2-4-21(20)26-25-14-18-10-19(5-6-22(18)27)23-11-15-7-16(12-23)9-17(8-15)13-23/h1-6,10,14-17,26-27H,7-9,11-13H2
InChIKeyBMDJMCRUGQRWIW-UHFFFAOYSA-N
XLogP5.45
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 55.45
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'}

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Related Compounds

4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 137026893
[(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea
CID 137026944
[[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea
CID 168533127
methyl (E)-3-[4-(1-adamantyl)-2-fluorophenoxy]prop-2-enoate
CID 142736361
3-[[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]-4-chlorobenzoic acid
CID 137085696
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
4-(1-adamantyl)-2-aminophenol
CID 66922251
4-chloro-2-[[4-[(5S,7R)-3-phenyl-1-adamantyl]phenyl]iminomethyl]phenol
CID 136897175
2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol
CID 169383181
N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 136705004
4-(1-adamantyl)-2-fluoroaniline
CID 28940918
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 135716005

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol (CID 175824509) is 4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol is Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=NNc1ccccc1F.
What is the InChIKey of 4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is BMDJMCRUGQRWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c24-20-3-1-2-4-21(20)26-25-14-18-10-19(5-6-22(18)27)23-11-15-7-16(12-23)9-17(8-15)13-23/h1-6,10,14-17,26-27H,7-9,11-13H2.
What are the key properties of 4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol?
4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 364.46 g/mol, XLogP of 5.45, 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-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 175824509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).