2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol

C24H28N2O — CID 169383181

IUPAC2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol
SMILESCc1cc(C=NNc2ccccc2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H28N2O/c1-16-7-20(15-25-26-21-5-3-2-4-6-21)23(27)22(8-16)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-8,15,17-19,26-27H,9-14H2,1H3
InChIKeyCMMVVDYUNRDZIO-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.61
Rot. Bonds4

About 2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol

2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol (PubChem CID 169383181) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol
PubChem CID169383181
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol
SMILESCc1cc(C=NNc2ccccc2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H28N2O/c1-16-7-20(15-25-26-21-5-3-2-4-6-21)23(27)22(8-16)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-8,15,17-19,26-27H,9-14H2,1H3
InChIKeyCMMVVDYUNRDZIO-UHFFFAOYSA-N
XLogP5.61
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.61
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
2,6-bis(1-adamantyl)-4-methylphenol
CID 4686402
2-(1-adamantyl)-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methylphenol;trichlorotitanium
CID 139252637
(1R,2S)-1-[[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]methylideneamino]-2,3-dihydro-1H-inden-2-ol;chromium;hexafluoroantimony(1-)
CID 135405331
2-(1-adamantyl)-6-[2-[[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]methylideneamino]ethylsulfanylmethyl]-4-methylphenol
CID 136669356
2-(1-adamantyl)-4-methyl-6-(phenyliminomethyl)benzenethiolate;dibromochromium(1+)
CID 58635707
2-(1-adamantyl)-6-[3-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]phenyl]-4-methylphenol
CID 102159811
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
2-(1-adamantyl)-6-[[2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)phenyl]iminomethyl]-4-methylphenol
CID 157374442
1-[(E)-[2-hydroxy-5-methyl-3-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]-3-phenylthiourea
CID 135519262
2-(1-adamantyl)-4-tert-butyl-6-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
CID 135466375
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169383558

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol (CID 169383181) is 2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol is Cc1cc(C=NNc2ccccc2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol?
The InChIKey is CMMVVDYUNRDZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-16-7-20(15-25-26-21-5-3-2-4-6-21)23(27)22(8-16)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-8,15,17-19,26-27H,9-14H2,1H3.
What are the key properties of 2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol?
2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol has a molecular weight of 360.50 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 169383181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).