4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol

C13H10ClNO2 — CID 135757927

IUPAC4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
SMILESOc1ccc(/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C13H10ClNO2/c14-10-1-6-13(17)9(7-10)8-15-11-2-4-12(16)5-3-11/h1-8,16-17H/b15-8+
InChIKeyBRXKWQZVKWNIBU-OVCLIPMQSA-N
MW247.68 g/mol
LogP3.50
Rot. Bonds2

About 4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol

4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol (PubChem CID 135757927) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
PubChem CID135757927
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
SMILESOc1ccc(/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C13H10ClNO2/c14-10-1-6-13(17)9(7-10)8-15-11-2-4-12(16)5-3-11/h1-8,16-17H/b15-8+
InChIKeyBRXKWQZVKWNIBU-OVCLIPMQSA-N
XLogP3.50
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.50
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-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
CID 961431
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 135657361
4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 162659279
4-chloro-2-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 135595561
4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol
CID 135595254
4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol
CID 139204499
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
6-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1,3-dihydroindol-2-one
CID 149279914
dimethyl 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595456
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779811
4-chloro-2-[[4-[(5S,7R)-3-phenyl-1-adamantyl]phenyl]iminomethyl]phenol
CID 136897175
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol (CID 135757927) is 4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol is Oc1ccc(/N=C/c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol?
The InChIKey is BRXKWQZVKWNIBU-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-10-1-6-13(17)9(7-10)8-15-11-2-4-12(16)5-3-11/h1-8,16-17H/b15-8+.
What are the key properties of 4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol?
4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol has a molecular weight of 247.68 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 135757927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).