2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol

C21H26N2O4 — CID 136726824

IUPAC2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol
SMILESCOc1cc(C)cc(/C=N/CCC/N=C/c2cc(C)cc(OC)c2O)c1O
InChIInChI=1S/C21H26N2O4/c1-14-8-16(20(24)18(10-14)26-3)12-22-6-5-7-23-13-17-9-15(2)11-19(27-4)21(17)25/h8-13,24-25H,5-7H2,1-4H3/b22-12+,23-13+
InChIKeyPHVRQHSKWUQANV-FWSOMWAYSA-N
MW370.45 g/mol
LogP3.66
Rot. Bonds8

About 2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol

2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol (PubChem CID 136726824) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol.

Molecular Properties

Compound Name2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol
PubChem CID136726824
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol
SMILESCOc1cc(C)cc(/C=N/CCC/N=C/c2cc(C)cc(OC)c2O)c1O
InChIInChI=1S/C21H26N2O4/c1-14-8-16(20(24)18(10-14)26-3)12-22-6-5-7-23-13-17-9-15(2)11-19(27-4)21(17)25/h8-13,24-25H,5-7H2,1-4H3/b22-12+,23-13+
InChIKeyPHVRQHSKWUQANV-FWSOMWAYSA-N
XLogP3.66
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-[2-[(5-formyl-2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-5-methoxybenzaldehyde
CID 136617808
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol
CID 135829051
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678
2-[[2-(dimethylamino)ethyl-ethylamino]methyl]-6-[3-(dimethylamino)propyliminomethyl]-4-methylphenol
CID 139155758
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol?
The IUPAC name of 2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol (CID 136726824) is 2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol.
What is the SMILES notation for 2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol?
The canonical SMILES for 2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol is COc1cc(C)cc(/C=N/CCC/N=C/c2cc(C)cc(OC)c2O)c1O.
What is the InChIKey of 2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol?
The InChIKey is PHVRQHSKWUQANV-FWSOMWAYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-8-16(20(24)18(10-14)26-3)12-22-6-5-7-23-13-17-9-15(2)11-19(27-4)21(17)25/h8-13,24-25H,5-7H2,1-4H3/b22-12+,23-13+.
What are the key properties of 2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol?
2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol has a molecular weight of 370.45 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol is sourced from PubChem (CID 136726824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).