2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol

C20H24N2O2 — CID 136759942

IUPAC2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/CCCC/N=C/c2cc(C)ccc2O)c1
InChIInChI=1S/C20H24N2O2/c1-15-5-7-19(23)17(11-15)13-21-9-3-4-10-22-14-18-12-16(2)6-8-20(18)24/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/b21-13+,22-14+
InChIKeyQNRWRTBAKNGYKH-JFMUQQRKSA-N
MW324.42 g/mol
LogP4.03
Rot. Bonds7

About 2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol

2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol (PubChem CID 136759942) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
PubChem CID136759942
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/CCCC/N=C/c2cc(C)ccc2O)c1
InChIInChI=1S/C20H24N2O2/c1-15-5-7-19(23)17(11-15)13-21-9-3-4-10-22-14-18-12-16(2)6-8-20(18)24/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/b21-13+,22-14+
InChIKeyQNRWRTBAKNGYKH-JFMUQQRKSA-N
XLogP4.03
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(2-methylpropyliminomethyl)phenol
CID 137081828
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
4-fluoro-2-(pentyliminomethyl)phenol
CID 144549323
2-[(E)-methoxyiminomethyl]-4-methylphenol
CID 137270598
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol
CID 177478383
2-(heptyliminomethyl)-4-nitrophenol
CID 4512182
4-nitro-2-(octadecyliminomethyl)phenol
CID 4097275
2-[3-[2-[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-4-propan-2-ylphenol
CID 135587662

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol?
The IUPAC name of 2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol (CID 136759942) is 2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol.
What is the SMILES notation for 2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol?
The canonical SMILES for 2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol is Cc1ccc(O)c(/C=N/CCCC/N=C/c2cc(C)ccc2O)c1.
What is the InChIKey of 2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol?
The InChIKey is QNRWRTBAKNGYKH-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-5-7-19(23)17(11-15)13-21-9-3-4-10-22-14-18-12-16(2)6-8-20(18)24/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/b21-13+,22-14+.
What are the key properties of 2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol?
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol has a molecular weight of 324.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol is sourced from PubChem (CID 136759942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).