3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide

C13H20N2O2 — CID 150728986

IUPAC3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide
SMILESCC(C)(C)C(CC(=O)NN)c1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)11(8-12(17)15-14)9-4-6-10(16)7-5-9/h4-7,11,16H,8,14H2,1-3H3,(H,15,17)
InChIKeyJRLAWEXFFJCCGD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds3

About 3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide

3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide (PubChem CID 150728986) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide
PubChem CID150728986
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide
SMILESCC(C)(C)C(CC(=O)NN)c1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)11(8-12(17)15-14)9-4-6-10(16)7-5-9/h4-7,11,16H,8,14H2,1-3H3,(H,15,17)
InChIKeyJRLAWEXFFJCCGD-UHFFFAOYSA-N
XLogP1.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
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

3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910
3-amino-3-(4-tert-butylphenyl)propanehydrazide
CID 116848720
3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide
CID 66666347
2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide;4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 68738715
3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide
CID 102034056
4,4-dimethyl-3-phenylpentanamide
CID 82077159
6-oxohexanoyl 3-(4-hydroxyphenyl)-4,4-dimethylpentanoate
CID 175412349
4-(4-hydroxyphenyl)-5-methyl-5-nitrohexan-2-one
CID 16720259
4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
CID 15597034
2-hydroxy-5-(4-methoxyphenyl)-2,6,6-trimethylheptan-3-one
CID 101413027
3-(4-bromophenyl)-3-hydroxypropanehydrazide
CID 11846937

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide?
The IUPAC name of 3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide (CID 150728986) is 3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide?
The canonical SMILES for 3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide is CC(C)(C)C(CC(=O)NN)c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide?
The InChIKey is JRLAWEXFFJCCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)11(8-12(17)15-14)9-4-6-10(16)7-5-9/h4-7,11,16H,8,14H2,1-3H3,(H,15,17).
What are the key properties of 3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide?
3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide is sourced from PubChem (CID 150728986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).