2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide

C12H18N2O4 — CID 3283507

IUPAC2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide
SMILESCCC(O)c1ccc(OCC(=O)NN)c(OC)c1
InChIInChI=1S/C12H18N2O4/c1-3-9(15)8-4-5-10(11(6-8)17-2)18-7-12(16)14-13/h4-6,9,15H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyWCKRPIWTAASNPA-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.51
Rot. Bonds6

About 2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide

2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide (PubChem CID 3283507) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide
PubChem CID3283507
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide
SMILESCCC(O)c1ccc(OCC(=O)NN)c(OC)c1
InChIInChI=1S/C12H18N2O4/c1-3-9(15)8-4-5-10(11(6-8)17-2)18-7-12(16)14-13/h4-6,9,15H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyWCKRPIWTAASNPA-UHFFFAOYSA-N
XLogP0.51
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
CID 55214761
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
CID 83952575
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 30120639
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 78933810
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
CID 30114776
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63364548
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
CID 43279460
N-cyclopropyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]acetamide
CID 78931618
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 16783572
N-cyclopropyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416729

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide?
The IUPAC name of 2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide (CID 3283507) is 2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide.
What is the SMILES notation for 2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide?
The canonical SMILES for 2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide is CCC(O)c1ccc(OCC(=O)NN)c(OC)c1.
What is the InChIKey of 2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide?
The InChIKey is WCKRPIWTAASNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-9(15)8-4-5-10(11(6-8)17-2)18-7-12(16)14-13/h4-6,9,15H,3,7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide?
2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide has a molecular weight of 254.29 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide is sourced from PubChem (CID 3283507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).