5-chloro-2-(2-hydroxyiminoethyl)phenol

C8H8ClNO2 — CID 87765876

IUPAC5-chloro-2-(2-hydroxyiminoethyl)phenol
SMILESON=CCc1ccc(Cl)cc1O
InChIInChI=1S/C8H8ClNO2/c9-7-2-1-6(3-4-10-12)8(11)5-7/h1-2,4-5,11-12H,3H2
InChIKeyLTLYSIRRMVQVEP-UHFFFAOYSA-N
MW185.61 g/mol
LogP2.05
Rot. Bonds2

About 5-chloro-2-(2-hydroxyiminoethyl)phenol

5-chloro-2-(2-hydroxyiminoethyl)phenol (PubChem CID 87765876) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 5-chloro-2-(2-hydroxyiminoethyl)phenol.

Molecular Properties

Compound Name5-chloro-2-(2-hydroxyiminoethyl)phenol
PubChem CID87765876
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name5-chloro-2-(2-hydroxyiminoethyl)phenol
SMILESON=CCc1ccc(Cl)cc1O
InChIInChI=1S/C8H8ClNO2/c9-7-2-1-6(3-4-10-12)8(11)5-7/h1-2,4-5,11-12H,3H2
InChIKeyLTLYSIRRMVQVEP-UHFFFAOYSA-N
XLogP2.05
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(isocyanatomethyl)phenol
CID 117279668
(NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine
CID 10801290
1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one
CID 174781443
2-(3-bromopropyl)-5-chlorophenol
CID 118836469
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
5-chloro-2-dodecylphenol
CID 102279992
(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine
CID 22226003
3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
CID 131365879
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
CID 131883434
CID 131883434

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-hydroxyiminoethyl)phenol?
The IUPAC name of 5-chloro-2-(2-hydroxyiminoethyl)phenol (CID 87765876) is 5-chloro-2-(2-hydroxyiminoethyl)phenol.
What is the SMILES notation for 5-chloro-2-(2-hydroxyiminoethyl)phenol?
The canonical SMILES for 5-chloro-2-(2-hydroxyiminoethyl)phenol is ON=CCc1ccc(Cl)cc1O.
What is the InChIKey of 5-chloro-2-(2-hydroxyiminoethyl)phenol?
The InChIKey is LTLYSIRRMVQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-7-2-1-6(3-4-10-12)8(11)5-7/h1-2,4-5,11-12H,3H2.
What are the key properties of 5-chloro-2-(2-hydroxyiminoethyl)phenol?
5-chloro-2-(2-hydroxyiminoethyl)phenol has a molecular weight of 185.61 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-hydroxyiminoethyl)phenol is sourced from PubChem (CID 87765876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).