4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid

C20H23NO3 — CID 73432323

IUPAC4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid
SMILESCC(C)(C)c1ccc(-c2ccc(C(CCC(=O)O)=NO)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)17-10-8-15(9-11-17)14-4-6-16(7-5-14)18(21-24)12-13-19(22)23/h4-11,24H,12-13H2,1-3H3,(H,22,23)
InChIKeyLNLAFCRQQATZOY-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.69
Rot. Bonds5

About 4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid

4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid (PubChem CID 73432323) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid.

Molecular Properties

Compound Name4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid
PubChem CID73432323
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid
SMILESCC(C)(C)c1ccc(-c2ccc(C(CCC(=O)O)=NO)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)17-10-8-15(9-11-17)14-4-6-16(7-5-14)18(21-24)12-13-19(22)23/h4-11,24H,12-13H2,1-3H3,(H,22,23)
InChIKeyLNLAFCRQQATZOY-UHFFFAOYSA-N
XLogP4.69
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
CID 10193227
(4E)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 22992471
4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-hydroxyiminobutanoic acid
CID 85069221
(4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 10268829
(4E)-4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxyiminobutanoic acid
CID 18364147
(4E)-4-[4-(butanoylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 22992451
4-[4-(butanoylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 74014468
(4E)-4-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-4-hydroxyiminobutanoic acid
CID 135422931
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
methanol;4-[2,4,6-tris(4-tert-butylphenyl)-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
CID 139147300
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid?
The IUPAC name of 4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid (CID 73432323) is 4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid.
What is the SMILES notation for 4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid?
The canonical SMILES for 4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid is CC(C)(C)c1ccc(-c2ccc(C(CCC(=O)O)=NO)cc2)cc1.
What is the InChIKey of 4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid?
The InChIKey is LNLAFCRQQATZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)17-10-8-15(9-11-17)14-4-6-16(7-5-14)18(21-24)12-13-19(22)23/h4-11,24H,12-13H2,1-3H3,(H,22,23).
What are the key properties of 4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid?
4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid has a molecular weight of 325.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylphenyl)phenyl]-4-hydroxyiminobutanoic acid is sourced from PubChem (CID 73432323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).