ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate

C13H18N2O4 — CID 168529079

IUPACethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate
SMILESCCOC(=O)CCCOc1ccc(C=NN)c(O)c1
InChIInChI=1S/C13H18N2O4/c1-2-18-13(17)4-3-7-19-11-6-5-10(9-15-14)12(16)8-11/h5-6,8-9,16H,2-4,7,14H2,1H3
InChIKeyGIVDCGCVELOSDW-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.41
Rot. Bonds7

About ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate

ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate (PubChem CID 168529079) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate.

Molecular Properties

Compound Nameethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate
PubChem CID168529079
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate
SMILESCCOC(=O)CCCOc1ccc(C=NN)c(O)c1
InChIInChI=1S/C13H18N2O4/c1-2-18-13(17)4-3-7-19-11-6-5-10(9-15-14)12(16)8-11/h5-6,8-9,16H,2-4,7,14H2,1H3
InChIKeyGIVDCGCVELOSDW-UHFFFAOYSA-N
XLogP1.41
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
CID 19603738
ethyl 4-(4-formyl-3-nitrosophenoxy)butanoate
CID 130434963
ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate
CID 13400689
ethyl 3-[4-(4-bromobutoxy)-2-hydroxyphenyl]propanoate
CID 69248089
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 136897173
3-[5-(5-ethoxy-5-oxopentoxy)-2-hydroxyphenyl]propanoic acid
CID 19921943
ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
CID 146282312
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164
4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide
CID 142179795
ethyl 4-[3-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]butanoate
CID 168550872

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate?
The IUPAC name of ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate (CID 168529079) is ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate.
What is the SMILES notation for ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate?
The canonical SMILES for ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate is CCOC(=O)CCCOc1ccc(C=NN)c(O)c1.
What is the InChIKey of ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate?
The InChIKey is GIVDCGCVELOSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-18-13(17)4-3-7-19-11-6-5-10(9-15-14)12(16)8-11/h5-6,8-9,16H,2-4,7,14H2,1H3.
What are the key properties of ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate?
ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate has a molecular weight of 266.30 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate is sourced from PubChem (CID 168529079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).