4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol

C17H17Cl2NO2 — CID 135598763

IUPAC4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol
SMILESOCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c18-12-7-8-16(22)14(11-12)17(20-9-3-4-10-21)13-5-1-2-6-15(13)19/h1-2,5-8,11,21-22H,3-4,9-10H2/b20-17+
InChIKeyWVFCEMHUXLYDFE-LVZFUZTISA-N
MW338.23 g/mol
LogP4.31
Rot. Bonds6

About 4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol

4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol (PubChem CID 135598763) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol
PubChem CID135598763
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol
SMILESOCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c18-12-7-8-16(22)14(11-12)17(20-9-3-4-10-21)13-5-1-2-6-15(13)19/h1-2,5-8,11,21-22H,3-4,9-10H2/b20-17+
InChIKeyWVFCEMHUXLYDFE-LVZFUZTISA-N
XLogP4.31
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.31
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol (CID 135598763) is 4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol is OCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol?
The InChIKey is WVFCEMHUXLYDFE-LVZFUZTISA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c18-12-7-8-16(22)14(11-12)17(20-9-3-4-10-21)13-5-1-2-6-15(13)19/h1-2,5-8,11,21-22H,3-4,9-10H2/b20-17+.
What are the key properties of 4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol?
4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol has a molecular weight of 338.23 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol is sourced from PubChem (CID 135598763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).