2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol

C19H22N2O2 — CID 136632189

IUPAC2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol
SMILESCCC(CC/N=C/c1ccccc1O)/N=C/c1ccccc1O
InChIInChI=1S/C19H22N2O2/c1-2-17(21-14-16-8-4-6-10-19(16)23)11-12-20-13-15-7-3-5-9-18(15)22/h3-10,13-14,17,22-23H,2,11-12H2,1H3/b20-13+,21-14+
InChIKeyOJISMNIPEVJXIX-KVVJQUGZSA-N
MW310.40 g/mol
LogP3.80
Rot. Bonds7

About 2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol

2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol (PubChem CID 136632189) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol.

Molecular Properties

Compound Name2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol
PubChem CID136632189
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol
SMILESCCC(CC/N=C/c1ccccc1O)/N=C/c1ccccc1O
InChIInChI=1S/C19H22N2O2/c1-2-17(21-14-16-8-4-6-10-19(16)23)11-12-20-13-15-7-3-5-9-18(15)22/h3-10,13-14,17,22-23H,2,11-12H2,1H3/b20-13+,21-14+
InChIKeyOJISMNIPEVJXIX-KVVJQUGZSA-N
XLogP3.80
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
2-[2-[(2-hydroxyphenyl)methylideneamino]pent-4-enyliminomethyl]phenol
CID 135406449
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
(2S)-2-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]butanoic acid
CID 136694955
2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol
CID 137105568
2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper
CID 135548165

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol?
The IUPAC name of 2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol (CID 136632189) is 2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol.
What is the SMILES notation for 2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol?
The canonical SMILES for 2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol is CCC(CC/N=C/c1ccccc1O)/N=C/c1ccccc1O.
What is the InChIKey of 2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol?
The InChIKey is OJISMNIPEVJXIX-KVVJQUGZSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-17(21-14-16-8-4-6-10-19(16)23)11-12-20-13-15-7-3-5-9-18(15)22/h3-10,13-14,17,22-23H,2,11-12H2,1H3/b20-13+,21-14+.
What are the key properties of 2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol?
2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol has a molecular weight of 310.40 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol is sourced from PubChem (CID 136632189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).