2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol

C15H23NO4 — CID 136808100

IUPAC2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol
SMILESCCC(C)C(CO)/N=C/c1c(O)cc(OC)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-10(2)13(9-17)16-8-12-14(18)6-11(19-3)7-15(12)20-4/h6-8,10,13,17-18H,5,9H2,1-4H3/b16-8+
InChIKeyDUIKKHPNGMXAPH-LZYBPNLTSA-N
MW281.35 g/mol
LogP2.24
Rot. Bonds7

About 2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol

2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol (PubChem CID 136808100) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol
PubChem CID136808100
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol
SMILESCCC(C)C(CO)/N=C/c1c(O)cc(OC)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-10(2)13(9-17)16-8-12-14(18)6-11(19-3)7-15(12)20-4/h6-8,10,13,17-18H,5,9H2,1-4H3/b16-8+
InChIKeyDUIKKHPNGMXAPH-LZYBPNLTSA-N
XLogP2.24
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
CID 136859318
3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol
CID 176997876
3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 136506537
2-[3-[2-[3-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-3,5-dimethoxyphenol;iron
CID 135456094
[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 5092533
[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea
CID 136717021
[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 135679545
1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol
CID 170819085
2-(3-chloroprop-1-enyl)-3,5-dimethoxyphenol
CID 169478473
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol
CID 176998542
2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol
CID 176998472

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol (CID 136808100) is 2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol is CCC(C)C(CO)/N=C/c1c(O)cc(OC)cc1OC.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol?
The InChIKey is DUIKKHPNGMXAPH-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-10(2)13(9-17)16-8-12-14(18)6-11(19-3)7-15(12)20-4/h6-8,10,13,17-18H,5,9H2,1-4H3/b16-8+.
What are the key properties of 2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol?
2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol has a molecular weight of 281.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 136808100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).