2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol

C12H17NO4 — CID 136859318

IUPAC2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(/C=N/C(C)CO)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-8(7-14)13-6-10-11(15)4-9(16-2)5-12(10)17-3/h4-6,8,14-15H,7H2,1-3H3/b13-6+
InChIKeyJWFIEHKTGQXPBZ-AWNIVKPZSA-N
MW239.27 g/mol
LogP1.21
Rot. Bonds5

About 2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol

2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol (PubChem CID 136859318) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
PubChem CID136859318
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(/C=N/C(C)CO)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-8(7-14)13-6-10-11(15)4-9(16-2)5-12(10)17-3/h4-6,8,14-15H,7H2,1-3H3/b13-6+
InChIKeyJWFIEHKTGQXPBZ-AWNIVKPZSA-N
XLogP1.21
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol
CID 136808100
3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol
CID 176997876
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
3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 136506537
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
(Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine
CID 10562827

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol?
The IUPAC name of 2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol (CID 136859318) is 2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol?
The canonical SMILES for 2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol is COc1cc(O)c(/C=N/C(C)CO)c(OC)c1.
What is the InChIKey of 2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol?
The InChIKey is JWFIEHKTGQXPBZ-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(7-14)13-6-10-11(15)4-9(16-2)5-12(10)17-3/h4-6,8,14-15H,7H2,1-3H3/b13-6+.
What are the key properties of 2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol?
2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol has a molecular weight of 239.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol is sourced from PubChem (CID 136859318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).