4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol

C16H14ClF2NO3 — CID 136819089

IUPAC4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14ClF2NO3/c17-12-3-6-14(21)11(7-12)8-20-9-15(22)10-1-4-13(5-2-10)23-16(18)19/h1-8,15-16,21-22H,9H2/b20-8+
InChIKeyAZKCRRYVYLTJCQ-DNTJNYDQSA-N
MW341.74 g/mol
LogP3.80
Rot. Bonds6

About 4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol

4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol (PubChem CID 136819089) has the molecular formula C16H14ClF2NO3 and a molecular weight of 341.74 g/mol. Its IUPAC name is 4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol
PubChem CID136819089
Molecular FormulaC16H14ClF2NO3
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC Name4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14ClF2NO3/c17-12-3-6-14(21)11(7-12)8-20-9-15(22)10-1-4-13(5-2-10)23-16(18)19/h1-8,15-16,21-22H,9H2/b20-8+
InChIKeyAZKCRRYVYLTJCQ-DNTJNYDQSA-N
XLogP3.80
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[2-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol
CID 136826931
4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol
CID 136759251
2-(2,4-dichlorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65146137
4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
CID 136703874
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135596533
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596199
4-chloro-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol
CID 135596196
4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625
4-chloro-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenol
CID 135758278
1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
CID 64568016
4-chloro-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]iminomethyl]phenol
CID 135758067

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol (CID 136819089) is 4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/CC(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol?
The InChIKey is AZKCRRYVYLTJCQ-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H14ClF2NO3/c17-12-3-6-14(21)11(7-12)8-20-9-15(22)10-1-4-13(5-2-10)23-16(18)19/h1-8,15-16,21-22H,9H2/b20-8+.
What are the key properties of 4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol?
4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol has a molecular weight of 341.74 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol is sourced from PubChem (CID 136819089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).