4-(2,3-dimethylphenoxy)butanehydrazide

C12H18N2O2 — CID 63574436

IUPAC4-(2,3-dimethylphenoxy)butanehydrazide
SMILESCc1cccc(OCCCC(=O)NN)c1C
InChIInChI=1S/C12H18N2O2/c1-9-5-3-6-11(10(9)2)16-8-4-7-12(15)14-13/h3,5-6H,4,7-8,13H2,1-2H3,(H,14,15)
InChIKeyGCRYFRPTBKUSOO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.45
Rot. Bonds5

About 4-(2,3-dimethylphenoxy)butanehydrazide

4-(2,3-dimethylphenoxy)butanehydrazide (PubChem CID 63574436) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)butanehydrazide
PubChem CID63574436
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(2,3-dimethylphenoxy)butanehydrazide
SMILESCc1cccc(OCCCC(=O)NN)c1C
InChIInChI=1S/C12H18N2O2/c1-9-5-3-6-11(10(9)2)16-8-4-7-12(15)14-13/h3,5-6H,4,7-8,13H2,1-2H3,(H,14,15)
InChIKeyGCRYFRPTBKUSOO-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2,3-dimethylphenoxy)butanoate
CID 43378041
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005
N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19190896
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
4-(2,3-difluorophenoxy)butanehydrazide
CID 63568959
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19190902
3-(2,3-dimethylphenoxy)propyl prop-2-enoate
CID 151952529
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
5-(2-ethylphenoxy)pentanehydrazide
CID 63569442
N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide
CID 17343961

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)butanehydrazide?
The IUPAC name of 4-(2,3-dimethylphenoxy)butanehydrazide (CID 63574436) is 4-(2,3-dimethylphenoxy)butanehydrazide.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)butanehydrazide?
The canonical SMILES for 4-(2,3-dimethylphenoxy)butanehydrazide is Cc1cccc(OCCCC(=O)NN)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)butanehydrazide?
The InChIKey is GCRYFRPTBKUSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-3-6-11(10(9)2)16-8-4-7-12(15)14-13/h3,5-6H,4,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(2,3-dimethylphenoxy)butanehydrazide?
4-(2,3-dimethylphenoxy)butanehydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)butanehydrazide is sourced from PubChem (CID 63574436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).