5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide

C14H20N2O4 — CID 107710073

IUPAC5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2ccc(CCO)cc2)O1
InChIInChI=1S/C14H20N2O4/c15-16-14(18)13-6-5-12(20-13)9-19-11-3-1-10(2-4-11)7-8-17/h1-4,12-13,17H,5-9,15H2,(H,16,18)
InChIKeyKRLRSWZVPRZCFT-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.14
Rot. Bonds6

About 5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide

5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide (PubChem CID 107710073) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide
PubChem CID107710073
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2ccc(CCO)cc2)O1
InChIInChI=1S/C14H20N2O4/c15-16-14(18)13-6-5-12(20-13)9-19-11-3-1-10(2-4-11)7-8-17/h1-4,12-13,17H,5-9,15H2,(H,16,18)
InChIKeyKRLRSWZVPRZCFT-UHFFFAOYSA-N
XLogP0.14
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.14
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

5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373
5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide
CID 63575216
5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide
CID 63574550
5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63570861
5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
CID 107315431
5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide
CID 63574932
5-[[4-(3-oxobutyl)phenoxy]methyl]oxolane-2-carboxylic acid
CID 62301158
5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570508
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63574823
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
CID 63576009

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide (CID 107710073) is 5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(COc2ccc(CCO)cc2)O1.
What is the InChIKey of 5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide?
The InChIKey is KRLRSWZVPRZCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c15-16-14(18)13-6-5-12(20-13)9-19-11-3-1-10(2-4-11)7-8-17/h1-4,12-13,17H,5-9,15H2,(H,16,18).
What are the key properties of 5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide?
5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide has a molecular weight of 280.32 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 107710073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).