4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol

C16H16ClNO2 — CID 136703874

IUPAC4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
SMILESCc1ccccc1C(O)C/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClNO2/c1-11-4-2-3-5-14(11)16(20)10-18-9-12-8-13(17)6-7-15(12)19/h2-9,16,19-20H,10H2,1H3/b18-9+
InChIKeyUETCRYOUCAGMPE-GIJQJNRQSA-N
MW289.76 g/mol
LogP3.51
Rot. Bonds4

About 4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol

4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol (PubChem CID 136703874) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
PubChem CID136703874
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
SMILESCc1ccccc1C(O)C/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClNO2/c1-11-4-2-3-5-14(11)16(20)10-18-9-12-8-13(17)6-7-15(12)19/h2-9,16,19-20H,10H2,1H3/b18-9+
InChIKeyUETCRYOUCAGMPE-GIJQJNRQSA-N
XLogP3.51
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
CID 136703873
4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]-6-nitrophenol
CID 136703875
4-chloro-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]iminomethyl]phenol
CID 135758067
[(1R)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 135597908
4-chloro-2-[[2-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol
CID 136826931
4-chloro-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenol
CID 135758278
4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol
CID 136819089
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625
4-methyl-2-(2-methylpropyliminomethyl)phenol
CID 137081828
4-chloro-2-(furan-2-ylmethyliminomethyl)phenol
CID 135659260
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)propanamide
CID 135606040

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol (CID 136703874) is 4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol is Cc1ccccc1C(O)C/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol?
The InChIKey is UETCRYOUCAGMPE-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-4-2-3-5-14(11)16(20)10-18-9-12-8-13(17)6-7-15(12)19/h2-9,16,19-20H,10H2,1H3/b18-9+.
What are the key properties of 4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol?
4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol has a molecular weight of 289.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol is sourced from PubChem (CID 136703874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).