5-(4-formylphenoxy)pentanehydrazide

C12H16N2O3 — CID 63569079

IUPAC5-(4-formylphenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1ccc(C=O)cc1
InChIInChI=1S/C12H16N2O3/c13-14-12(16)3-1-2-8-17-11-6-4-10(9-15)5-7-11/h4-7,9H,1-3,8,13H2,(H,14,16)
InChIKeyFAARNUPATBXODH-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.04
Rot. Bonds7

About 5-(4-formylphenoxy)pentanehydrazide

5-(4-formylphenoxy)pentanehydrazide (PubChem CID 63569079) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(4-formylphenoxy)pentanehydrazide.

Molecular Properties

Compound Name5-(4-formylphenoxy)pentanehydrazide
PubChem CID63569079
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(4-formylphenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1ccc(C=O)cc1
InChIInChI=1S/C12H16N2O3/c13-14-12(16)3-1-2-8-17-11-6-4-10(9-15)5-7-11/h4-7,9H,1-3,8,13H2,(H,14,16)
InChIKeyFAARNUPATBXODH-UHFFFAOYSA-N
XLogP1.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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

4-(4-formylphenoxy)butanehydrazide
CID 63568719
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164
7-(4-formylphenoxy)heptanoic acid
CID 169448959
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
6-[4-(2-hydroxyethyl)phenoxy]hexanehydrazide
CID 107710067
N-(2-aminoethyl)-4-(4-formylphenoxy)butanamide
CID 39163097
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
5-(2-chloro-4-formylphenoxy)pentanehydrazide
CID 55214580
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate
CID 71148683

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylphenoxy)pentanehydrazide?
The IUPAC name of 5-(4-formylphenoxy)pentanehydrazide (CID 63569079) is 5-(4-formylphenoxy)pentanehydrazide.
What is the SMILES notation for 5-(4-formylphenoxy)pentanehydrazide?
The canonical SMILES for 5-(4-formylphenoxy)pentanehydrazide is NNC(=O)CCCCOc1ccc(C=O)cc1.
What is the InChIKey of 5-(4-formylphenoxy)pentanehydrazide?
The InChIKey is FAARNUPATBXODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-14-12(16)3-1-2-8-17-11-6-4-10(9-15)5-7-11/h4-7,9H,1-3,8,13H2,(H,14,16).
What are the key properties of 5-(4-formylphenoxy)pentanehydrazide?
5-(4-formylphenoxy)pentanehydrazide has a molecular weight of 236.27 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylphenoxy)pentanehydrazide is sourced from PubChem (CID 63569079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).