6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol

C13H18N2O4 — CID 88964930

IUPAC6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol
SMILESN/N=C\c1ccc(OC2CCC(O)C(CO)O2)cc1
InChIInChI=1S/C13H18N2O4/c14-15-7-9-1-3-10(4-2-9)18-13-6-5-11(17)12(8-16)19-13/h1-4,7,11-13,16-17H,5-6,8,14H2/b15-7-
InChIKeyOLUCEOAGSNGGKE-CHHVJCJISA-N
MW266.30 g/mol
LogP0.22
Rot. Bonds4

About 6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol

6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol (PubChem CID 88964930) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol
PubChem CID88964930
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol
SMILESN/N=C\c1ccc(OC2CCC(O)C(CO)O2)cc1
InChIInChI=1S/C13H18N2O4/c14-15-7-9-1-3-10(4-2-9)18-13-6-5-11(17)12(8-16)19-13/h1-4,7,11-13,16-17H,5-6,8,14H2/b15-7-
InChIKeyOLUCEOAGSNGGKE-CHHVJCJISA-N
XLogP0.22
TPSA97.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol
CID 76682354
N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide
CID 58061927
(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol
CID 54321691
ethane;2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4-diol
CID 164565492
[(Z)-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylideneamino]thiourea
CID 45485923
2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol
CID 88964794
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
(4-methanehydrazonoylphenyl) propanoate
CID 168530335
2-[2-[(4-cyclohexyloxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840083
[4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl N-methylcarbamate;ethane
CID 164565475
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
2-phenyl-N-[(Z)-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylideneamino]acetamide
CID 5435659

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol?
The IUPAC name of 6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol (CID 88964930) is 6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for 6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for 6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol is N/N=C\c1ccc(OC2CCC(O)C(CO)O2)cc1.
What is the InChIKey of 6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol?
The InChIKey is OLUCEOAGSNGGKE-CHHVJCJISA-N. The full InChI is InChI=1S/C13H18N2O4/c14-15-7-9-1-3-10(4-2-9)18-13-6-5-11(17)12(8-16)19-13/h1-4,7,11-13,16-17H,5-6,8,14H2/b15-7-.
What are the key properties of 6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol?
6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol has a molecular weight of 266.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 88964930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).