2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol

C22H28ClNO2 — CID 135764824

IUPAC2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol
SMILESCCCCCCCCCc1cc(Cl)c(O)c(/C(=N/O)c2ccccc2)c1
InChIInChI=1S/C22H28ClNO2/c1-2-3-4-5-6-7-9-12-17-15-19(22(25)20(23)16-17)21(24-26)18-13-10-8-11-14-18/h8,10-11,13-16,25-26H,2-7,9,12H2,1H3/b24-21+
InChIKeyFGTCYTZEIKWZRE-DARPEHSRSA-N
MW373.92 g/mol
LogP6.57
Rot. Bonds10

About 2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol

2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol (PubChem CID 135764824) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol.

Molecular Properties

Compound Name2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol
PubChem CID135764824
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol
SMILESCCCCCCCCCc1cc(Cl)c(O)c(/C(=N/O)c2ccccc2)c1
InChIInChI=1S/C22H28ClNO2/c1-2-3-4-5-6-7-9-12-17-15-19(22(25)20(23)16-17)21(24-26)18-13-10-8-11-14-18/h8,10-11,13-16,25-26H,2-7,9,12H2,1H3/b24-21+
InChIKeyFGTCYTZEIKWZRE-DARPEHSRSA-N
XLogP6.57
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.92
LogP ≤ 56.57
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

Ethanone, 1-(3,5-dichloro-2-hydroxyphenyl)-, oxime
CID 135520614
4-Chloro-6-[1-(hydroxyamino)ethylidene]cyclohexa-2,4-dien-1-one
CID 135589127
4-chloro-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-[(E)-hydroxyiminomethyl]benzene-1,3-diol
CID 145983905
2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol
CID 135980482
(E)-(3,5-ditert-butyl-4-hydroxyphenyl)(phenyl)methanone oxime
CID 140346301
(2-Hydroxy-5-methylphenyl)(phenyl)methanone oxime
CID 135699305
Methanone, (2-hydroxy-5-nonylphenyl)phenyl-, oxime
CID 135993871
2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135931715
2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol
CID 135931736
2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol
CID 135980484
4,4'-Methylenebis(6-chloro-o-cresol)
CID 93937
1-(2-Hydroxy-5-nonylphenyl)-2-phenylethanone oxime
CID 103595

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol?
The IUPAC name of 2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol (CID 135764824) is 2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol.
What is the SMILES notation for 2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol?
The canonical SMILES for 2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol is CCCCCCCCCc1cc(Cl)c(O)c(/C(=N/O)c2ccccc2)c1.
What is the InChIKey of 2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol?
The InChIKey is FGTCYTZEIKWZRE-DARPEHSRSA-N. The full InChI is InChI=1S/C22H28ClNO2/c1-2-3-4-5-6-7-9-12-17-15-19(22(25)20(23)16-17)21(24-26)18-13-10-8-11-14-18/h8,10-11,13-16,25-26H,2-7,9,12H2,1H3/b24-21+.
What are the key properties of 2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol?
2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol has a molecular weight of 373.92 g/mol, XLogP of 6.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol is sourced from PubChem (CID 135764824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).