4-pentan-2-yloxybenzohydrazide

C12H18N2O2 — CID 57267352

IUPAC4-pentan-2-yloxybenzohydrazide
SMILESCCCC(C)Oc1ccc(C(=O)NN)cc1
InChIInChI=1S/C12H18N2O2/c1-3-4-9(2)16-11-7-5-10(6-8-11)12(15)14-13/h5-9H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyOKALCNAUBHASQP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.86
Rot. Bonds5

About 4-pentan-2-yloxybenzohydrazide

4-pentan-2-yloxybenzohydrazide (PubChem CID 57267352) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-pentan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name4-pentan-2-yloxybenzohydrazide
PubChem CID57267352
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-pentan-2-yloxybenzohydrazide
SMILESCCCC(C)Oc1ccc(C(=O)NN)cc1
InChIInChI=1S/C12H18N2O2/c1-3-4-9(2)16-11-7-5-10(6-8-11)12(15)14-13/h5-9H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyOKALCNAUBHASQP-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[4-[(2R)-pentan-2-yl]oxyphenyl]acetic acid
CID 124632287
4-hexan-2-yloxybenzoic acid
CID 19593666
4-pentoxybenzohydrazide
CID 2727702
2-methyl-4-pentan-2-yloxyaniline
CID 102980398
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
1-(4-pentan-2-yloxyphenyl)propan-2-amine
CID 107885477
1-(2-bromoethyl)-4-[(2R)-pentan-2-yl]oxybenzene
CID 67001827
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide
CID 63576109
4-(4-methylsulfanylphenoxy)pentanehydrazide
CID 55246737

Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-yloxybenzohydrazide?
The IUPAC name of 4-pentan-2-yloxybenzohydrazide (CID 57267352) is 4-pentan-2-yloxybenzohydrazide.
What is the SMILES notation for 4-pentan-2-yloxybenzohydrazide?
The canonical SMILES for 4-pentan-2-yloxybenzohydrazide is CCCC(C)Oc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-pentan-2-yloxybenzohydrazide?
The InChIKey is OKALCNAUBHASQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-9(2)16-11-7-5-10(6-8-11)12(15)14-13/h5-9H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 4-pentan-2-yloxybenzohydrazide?
4-pentan-2-yloxybenzohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-2-yloxybenzohydrazide is sourced from PubChem (CID 57267352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).