3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal

C19H23N3O2 — CID 145144376

IUPAC3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal
SMILESCC(C)(C)c1cc(CCC=O)cc(/N=N/c2ccccc2N)c1O
InChIInChI=1S/C19H23N3O2/c1-19(2,3)14-11-13(7-6-10-23)12-17(18(14)24)22-21-16-9-5-4-8-15(16)20/h4-5,8-12,24H,6-7,20H2,1-3H3/b22-21+
InChIKeyONPKPFQHDPWKBC-QURGRASLSA-N
MW325.41 g/mol
LogP4.82
Rot. Bonds5

About 3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal

3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal (PubChem CID 145144376) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal.

Molecular Properties

Compound Name3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal
PubChem CID145144376
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal
SMILESCC(C)(C)c1cc(CCC=O)cc(/N=N/c2ccccc2N)c1O
InChIInChI=1S/C19H23N3O2/c1-19(2,3)14-11-13(7-6-10-23)12-17(18(14)24)22-21-16-9-5-4-8-15(16)20/h4-5,8-12,24H,6-7,20H2,1-3H3/b22-21+
InChIKeyONPKPFQHDPWKBC-QURGRASLSA-N
XLogP4.82
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)diazenyl]-6-tert-butyl-4-(2-isocyanatoethyl)phenol
CID 137251311
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
CID 158878074
3-(3,4-diamino-5-tert-butylphenyl)propanal
CID 145109683
4-[2-(2-amino-6-fluorophenyl)ethyl]-2,6-ditert-butylphenol
CID 19960430
3-(3-amino-5-tert-butyl-4-hydroxyphenyl)propanal;hexa-1,5-diene-3,4-diimine;methoxymethane
CID 143335527
2-[(2-aminophenyl)diazenyl]-6-ethyl-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 162523909
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
2-[(2-amino-4-sulfanylphenyl)diazenyl]-6-tert-butyl-4-methylphenol
CID 137196770
3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[10-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]anthracen-9-yl]propan-1-one
CID 154019174
4-[2-(4-benzylphenyl)ethyl]-2,6-ditert-butylphenol
CID 149334289
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol
CID 137156216
methyl 3-(3-tert-butyl-4-hydroxy-5-nitrosophenyl)propanoate
CID 176898072

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal?
The IUPAC name of 3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal (CID 145144376) is 3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal.
What is the SMILES notation for 3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal?
The canonical SMILES for 3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal is CC(C)(C)c1cc(CCC=O)cc(/N=N/c2ccccc2N)c1O.
What is the InChIKey of 3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal?
The InChIKey is ONPKPFQHDPWKBC-QURGRASLSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2,3)14-11-13(7-6-10-23)12-17(18(14)24)22-21-16-9-5-4-8-15(16)20/h4-5,8-12,24H,6-7,20H2,1-3H3/b22-21+.
What are the key properties of 3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal?
3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal has a molecular weight of 325.41 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-aminophenyl)diazenyl]-5-tert-butyl-4-hydroxyphenyl]propanal is sourced from PubChem (CID 145144376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).