2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol

C12H18N2O4 — CID 110840063

IUPAC2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESCOc1cc(OC)c(OC)cc1C=NNCCO
InChIInChI=1S/C12H18N2O4/c1-16-10-7-12(18-3)11(17-2)6-9(10)8-14-13-4-5-15/h6-8,13,15H,4-5H2,1-3H3
InChIKeyWEFQPDVNZNZDBY-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.63
Rot. Bonds7

About 2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol

2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol (PubChem CID 110840063) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol
PubChem CID110840063
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESCOc1cc(OC)c(OC)cc1C=NNCCO
InChIInChI=1S/C12H18N2O4/c1-16-10-7-12(18-3)11(17-2)6-9(10)8-14-13-4-5-15/h6-8,13,15H,4-5H2,1-3H3
InChIKeyWEFQPDVNZNZDBY-UHFFFAOYSA-N
XLogP0.63
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.63
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol
CID 136704595
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
N,N'-bis[(2,4,5-trimethoxyphenyl)methylideneamino]octanediamide
CID 3495405
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110839989
2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840069
N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
CID 4657940
2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 3458864
1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene
CID 6901168
N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine
CID 71536298
3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 126059607
2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9315527
1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol (CID 110840063) is 2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol is COc1cc(OC)c(OC)cc1C=NNCCO.
What is the InChIKey of 2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol?
The InChIKey is WEFQPDVNZNZDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-16-10-7-12(18-3)11(17-2)6-9(10)8-14-13-4-5-15/h6-8,13,15H,4-5H2,1-3H3.
What are the key properties of 2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol?
2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol has a molecular weight of 254.29 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol is sourced from PubChem (CID 110840063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).