2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol

C22H29NO2 — CID 135993871

IUPAC2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(/C(=N\O)c2ccccc2)c1
InChIInChI=1S/C22H29NO2/c1-2-3-4-5-6-7-9-12-18-15-16-21(24)20(17-18)22(23-25)19-13-10-8-11-14-19/h8,10-11,13-17,24-25H,2-7,9,12H2,1H3/b23-22-
InChIKeyCROPCLKVTSNPEY-FCQUAONHSA-N
MW339.48 g/mol
LogP5.91
Rot. Bonds10

About 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol

2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol (PubChem CID 135993871) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol.

Molecular Properties

Compound Name2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol
PubChem CID135993871
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(/C(=N\O)c2ccccc2)c1
InChIInChI=1S/C22H29NO2/c1-2-3-4-5-6-7-9-12-18-15-16-21(24)20(17-18)22(23-25)19-13-10-8-11-14-19/h8,10-11,13-17,24-25H,2-7,9,12H2,1H3/b23-22-
InChIKeyCROPCLKVTSNPEY-FCQUAONHSA-N
XLogP5.91
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

Magnolol
CID 72300
Honokiol
CID 72303
Bisphenol C
CID 6620
Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propen-1-yl)-
CID 74457
4,4'-Methylenebis(2,6-dimethylphenol)
CID 79345
2-(2-Hydroxy-5-propylphenyl)-4-propylphenol
CID 5321851
3,3',5,5'-Tetramethylbiphenyl-4,4'-diol
CID 75490
(1E)-1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135399628
2-(alpha-Methylbenzyl)-p-cresol
CID 95323
2,2'-Methylenedi-p-cresol
CID 76715
3,5-Dimethyl-4-hydroxystilbene
CID 6365297
[1,1'-Biphenyl]-2,4'-diol, 3',5-dipropyl-
CID 9900113

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol?
The IUPAC name of 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol (CID 135993871) is 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol.
What is the SMILES notation for 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol?
The canonical SMILES for 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol is CCCCCCCCCc1ccc(O)c(/C(=N\O)c2ccccc2)c1.
What is the InChIKey of 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol?
The InChIKey is CROPCLKVTSNPEY-FCQUAONHSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-3-4-5-6-7-9-12-18-15-16-21(24)20(17-18)22(23-25)19-13-10-8-11-14-19/h8,10-11,13-17,24-25H,2-7,9,12H2,1H3/b23-22-.
What are the key properties of 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol?
2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol has a molecular weight of 339.48 g/mol, XLogP of 5.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol is sourced from PubChem (CID 135993871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).