2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol

C23H22ClNO — CID 3061947

IUPAC2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol
SMILESCCCC/N=C(\c1ccc(Cl)cc1)c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C23H22ClNO/c1-2-3-15-25-23(18-9-12-20(24)13-10-18)21-16-19(11-14-22(21)26)17-7-5-4-6-8-17/h4-14,16,26H,2-3,15H2,1H3/b25-23+
InChIKeyQYNFFRDVAIFBNP-WJTDDFOZSA-N
MW363.89 g/mol
LogP6.35
Rot. Bonds6

About 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol

2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol (PubChem CID 3061947) has the molecular formula C23H22ClNO and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol.

Molecular Properties

Compound Name2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol
PubChem CID3061947
Molecular FormulaC23H22ClNO
Molecular Weight363.89 g/mol
Exact Mass363.14
IUPAC Name2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol
SMILESCCCC/N=C(\c1ccc(Cl)cc1)c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C23H22ClNO/c1-2-3-15-25-23(18-9-12-20(24)13-10-18)21-16-19(11-14-22(21)26)17-7-5-4-6-8-17/h4-14,16,26H,2-3,15H2,1H3/b25-23+
InChIKeyQYNFFRDVAIFBNP-WJTDDFOZSA-N
XLogP6.35
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Fengabine
CID 54471
(3R)-5-(3-chlorophenyl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol
CID 136032582
(3R)-5-(4-chlorophenyl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol
CID 136203768
2-((Butylimino)(2,4-dimethylphenyl)methyl)-4-methylphenol
CID 3061929
2-((Butylimino)(2,4-dimethylphenyl)methyl)-4,6-dimethylphenol
CID 3061931
2-((Butylimino)(4-chlorophenyl)methyl)-4-fluorophenol
CID 3061945
2-(Pentylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061913
2-(Hexylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061914
2-(3-Methylbutylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061915
2-(Heptylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061916
2-(Octylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061918
2-(Nonylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061919

Frequently Asked Questions

What is the IUPAC name of 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol?
The IUPAC name of 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol (CID 3061947) is 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol.
What is the SMILES notation for 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol?
The canonical SMILES for 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol is CCCC/N=C(\c1ccc(Cl)cc1)c1cc(-c2ccccc2)ccc1O.
What is the InChIKey of 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol?
The InChIKey is QYNFFRDVAIFBNP-WJTDDFOZSA-N. The full InChI is InChI=1S/C23H22ClNO/c1-2-3-15-25-23(18-9-12-20(24)13-10-18)21-16-19(11-14-22(21)26)17-7-5-4-6-8-17/h4-14,16,26H,2-3,15H2,1H3/b25-23+.
What are the key properties of 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol?
2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol has a molecular weight of 363.89 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-phenylphenol is sourced from PubChem (CID 3061947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).