2-(3-hydroxypropyliminomethyl)-6-methoxyphenol

C11H15NO3 — CID 136727735

IUPAC2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCCO)c1O
InChIInChI=1S/C11H15NO3/c1-15-10-5-2-4-9(11(10)14)8-12-6-3-7-13/h2,4-5,8,13-14H,3,6-7H2,1H3/b12-8+
InChIKeyGJLIDZYVTRLRGT-XYOKQWHBSA-N
MW209.25 g/mol
LogP1.20
Rot. Bonds5

About 2-(3-hydroxypropyliminomethyl)-6-methoxyphenol

2-(3-hydroxypropyliminomethyl)-6-methoxyphenol (PubChem CID 136727735) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(3-hydroxypropyliminomethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
PubChem CID136727735
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/CCCO)c1O
InChIInChI=1S/C11H15NO3/c1-15-10-5-2-4-9(11(10)14)8-12-6-3-7-13/h2,4-5,8,13-14H,3,6-7H2,1H3/b12-8+
InChIKeyGJLIDZYVTRLRGT-XYOKQWHBSA-N
XLogP1.20
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.20
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

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-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-6-methoxyphenol
CID 135847622
zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)
CID 139072510
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
CID 135855450

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyliminomethyl)-6-methoxyphenol?
The IUPAC name of 2-(3-hydroxypropyliminomethyl)-6-methoxyphenol (CID 136727735) is 2-(3-hydroxypropyliminomethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(3-hydroxypropyliminomethyl)-6-methoxyphenol?
The canonical SMILES for 2-(3-hydroxypropyliminomethyl)-6-methoxyphenol is COc1cccc(/C=N/CCCO)c1O.
What is the InChIKey of 2-(3-hydroxypropyliminomethyl)-6-methoxyphenol?
The InChIKey is GJLIDZYVTRLRGT-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-15-10-5-2-4-9(11(10)14)8-12-6-3-7-13/h2,4-5,8,13-14H,3,6-7H2,1H3/b12-8+.
What are the key properties of 2-(3-hydroxypropyliminomethyl)-6-methoxyphenol?
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol has a molecular weight of 209.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyliminomethyl)-6-methoxyphenol is sourced from PubChem (CID 136727735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).