2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide

C12H16N2O3 — CID 170477419

IUPAC2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide
SMILESNNC(=O)COc1ccccc1C=CCCO
InChIInChI=1S/C12H16N2O3/c13-14-12(16)9-17-11-7-2-1-5-10(11)6-3-4-8-15/h1-3,5-7,15H,4,8-9,13H2,(H,14,16)
InChIKeyKZZGHCMAEPFGMG-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.45
Rot. Bonds6

About 2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide

2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide (PubChem CID 170477419) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide
PubChem CID170477419
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide
SMILESNNC(=O)COc1ccccc1C=CCCO
InChIInChI=1S/C12H16N2O3/c13-14-12(16)9-17-11-7-2-1-5-10(11)6-3-4-8-15/h1-3,5-7,15H,4,8-9,13H2,(H,14,16)
InChIKeyKZZGHCMAEPFGMG-UHFFFAOYSA-N
XLogP0.45
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide
CID 169464346
N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide
CID 170489550
N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide
CID 169466327
4-(2-phenylmethoxyphenyl)but-3-en-1-ol
CID 54307612
2-[2-(4-chlorobut-1-enyl)phenoxy]acetic acid
CID 170499701
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
5-(2-prop-1-enylphenoxy)pentanehydrazide
CID 77002054
methyl 2-[(E)-4-hydroxybut-1-enyl]benzoate
CID 135084302
2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
CID 79626134
2-[2-[(E)-but-1-enyl]phenoxy]acetic acid
CID 5354871
2-(4-hydroxybut-1-enyl)-6-methoxybenzoic acid
CID 170477137

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide?
The IUPAC name of 2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide (CID 170477419) is 2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide.
What is the SMILES notation for 2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide?
The canonical SMILES for 2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide is NNC(=O)COc1ccccc1C=CCCO.
What is the InChIKey of 2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide?
The InChIKey is KZZGHCMAEPFGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-14-12(16)9-17-11-7-2-1-5-10(11)6-3-4-8-15/h1-3,5-7,15H,4,8-9,13H2,(H,14,16).
What are the key properties of 2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide?
2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide has a molecular weight of 236.27 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide is sourced from PubChem (CID 170477419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).