2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

C25H29NO2 — CID 135966048

IUPAC2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/C2CCCCC2)c(O)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C25H29NO2/c1-3-8-18-14-21(17-26-22-10-6-5-7-11-22)25(28)23(15-18)19-12-13-24(27)20(16-19)9-4-2/h3-4,12-17,22,27-28H,1-2,5-11H2/b26-17+
InChIKeyLBMNWZJTXKBQSD-YZSQISJMSA-N
MW375.51 g/mol
LogP5.97
Rot. Bonds7

About 2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol (PubChem CID 135966048) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
PubChem CID135966048
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/C2CCCCC2)c(O)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C25H29NO2/c1-3-8-18-14-21(17-26-22-10-6-5-7-11-22)25(28)23(15-18)19-12-13-24(27)20(16-19)9-4-2/h3-4,12-17,22,27-28H,1-2,5-11H2/b26-17+
InChIKeyLBMNWZJTXKBQSD-YZSQISJMSA-N
XLogP5.97
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cobalt(2+);2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135794353
N,N'-Disalicylidene-1,2-propanediamine
CID 7210
N,N'-Bis(salicylidene)ethylenediamine
CID 26518
N,N'-Bis(salicylidene)-1,3-propanediamine
CID 67125
Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-
CID 260228
1-Cyclohexyliminomethyl-naphthalen-2-ol
CID 598370
(R,R)-Jacobsen's catalyst
CID 73602790
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 136385762
Phenol, 2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-
CID 115824
2-Naphthalenol, 1-[[(phenylmethyl)imino]methyl]-
CID 511504
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 136882207
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;manganese;hydrochloride
CID 176450531

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The IUPAC name of 2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol (CID 135966048) is 2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol.
What is the SMILES notation for 2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The canonical SMILES for 2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol is C=CCc1cc(/C=N/C2CCCCC2)c(O)c(-c2ccc(O)c(CC=C)c2)c1.
What is the InChIKey of 2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The InChIKey is LBMNWZJTXKBQSD-YZSQISJMSA-N. The full InChI is InChI=1S/C25H29NO2/c1-3-8-18-14-21(17-26-22-10-6-5-7-11-22)25(28)23(15-18)19-12-13-24(27)20(16-19)9-4-2/h3-4,12-17,22,27-28H,1-2,5-11H2/b26-17+.
What are the key properties of 2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol has a molecular weight of 375.51 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol is sourced from PubChem (CID 135966048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).