3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine

C17H30N2O2 — CID 158878074

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
SMILESCC(C)(C)c1cc(CCC=O)cc(C(C)(C)C)c1O.NN
InChIInChI=1S/C17H26O2.H4N2/c1-16(2,3)13-10-12(8-7-9-18)11-14(15(13)19)17(4,5)6;1-2/h9-11,19H,7-8H2,1-6H3;1-2H2
InChIKeyJCRNIJRKGMXZFH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.94
Rot. Bonds3

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine

3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine (PubChem CID 158878074) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
PubChem CID158878074
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
SMILESCC(C)(C)c1cc(CCC=O)cc(C(C)(C)C)c1O.NN
InChIInChI=1S/C17H26O2.H4N2/c1-16(2,3)13-10-12(8-7-9-18)11-14(15(13)19)17(4,5)6;1-2/h9-11,19H,7-8H2,1-6H3;1-2H2
InChIKeyJCRNIJRKGMXZFH-UHFFFAOYSA-N
XLogP2.94
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine 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-[3-tert-butyl-2-hydroxy-5-(3-oxopropyl)phenyl]-N-[6-[[2-[3-tert-butyl-2-hydroxy-5-(3-oxopropyl)phenyl]-2-methylpropanoyl]amino]hexyl]-2-methylpropanamide
CID 88842706
3-(3,4-diamino-5-tert-butylphenyl)propanal
CID 145109683
3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal
CID 145144376
2,6-ditert-butyl-4-propylphenol;methyl formate
CID 145003703
2,6-ditert-butyl-4-pent-4-enylphenol
CID 22463031
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropanal
CID 14011816
3-(3-amino-5-tert-butyl-4-hydroxyphenyl)propanal;hexa-1,5-diene-3,4-diimine;methoxymethane
CID 143335527
4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide
CID 139839199
2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
CID 3430761
4-butyl-2,6-ditert-butylphenol
CID 158079570

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine (CID 158878074) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine is CC(C)(C)c1cc(CCC=O)cc(C(C)(C)C)c1O.NN.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine?
The InChIKey is JCRNIJRKGMXZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.H4N2/c1-16(2,3)13-10-12(8-7-9-18)11-14(15(13)19)17(4,5)6;1-2/h9-11,19H,7-8H2,1-6H3;1-2H2.
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine?
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine has a molecular weight of 294.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine is sourced from PubChem (CID 158878074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).