1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol

C11H13NO3 — CID 145169624

IUPAC1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol
SMILESC=Nc1cc(OC)c(OC)cc1C(=C)O
InChIInChI=1S/C11H13NO3/c1-7(13)8-5-10(14-3)11(15-4)6-9(8)12-2/h5-6,13H,1-2H2,3-4H3
InChIKeyHWDRZTFETLPWCF-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.56
Rot. Bonds4

About 1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol

1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol (PubChem CID 145169624) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol.

Molecular Properties

Compound Name1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol
PubChem CID145169624
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol
SMILESC=Nc1cc(OC)c(OC)cc1C(=C)O
InChIInChI=1S/C11H13NO3/c1-7(13)8-5-10(14-3)11(15-4)6-9(8)12-2/h5-6,13H,1-2H2,3-4H3
InChIKeyHWDRZTFETLPWCF-UHFFFAOYSA-N
XLogP2.56
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide
CID 71206505
N-[2-(1-chloroethenyl)-5-(3-chloropropoxy)-4-methoxyphenyl]methanimine
CID 144685745
5-[(E)-1-chloroprop-1-enyl]-2-methoxy-4-(methylideneamino)benzamide
CID 138748069
1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol
CID 156712123
[4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine
CID 145181337
4,5-dimethoxy-2-(1-methoxyethenyl)aniline
CID 90350857
N-[4,5-dimethoxy-2-[1-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]ethenyl]phenyl]methanimine
CID 157041139
1-(4-amino-2-methoxyphenyl)ethenol
CID 89240422
2-carboxy-4,5-dimethoxyphenolate
CID 86306376
CID 59316225
CID 59316225
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine
CID 145260845

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol?
The IUPAC name of 1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol (CID 145169624) is 1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol.
What is the SMILES notation for 1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol?
The canonical SMILES for 1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol is C=Nc1cc(OC)c(OC)cc1C(=C)O.
What is the InChIKey of 1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol?
The InChIKey is HWDRZTFETLPWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(13)8-5-10(14-3)11(15-4)6-9(8)12-2/h5-6,13H,1-2H2,3-4H3.
What are the key properties of 1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol?
1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol has a molecular weight of 207.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol is sourced from PubChem (CID 145169624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).