4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol

C9H10ClNO2 — CID 135850197

IUPAC4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol
SMILESCCc1cc(Cl)cc(/C=N\O)c1O
InChIInChI=1S/C9H10ClNO2/c1-2-6-3-8(10)4-7(5-11-13)9(6)12/h3-5,12-13H,2H2,1H3/b11-5-
InChIKeyMJXMNZFQFUCVOH-WZUFQYTHSA-N
MW199.64 g/mol
LogP2.42
Rot. Bonds2

About 4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol

4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol (PubChem CID 135850197) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol
PubChem CID135850197
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol
SMILESCCc1cc(Cl)cc(/C=N\O)c1O
InChIInChI=1S/C9H10ClNO2/c1-2-6-3-8(10)4-7(5-11-13)9(6)12/h3-5,12-13H,2H2,1H3/b11-5-
InChIKeyMJXMNZFQFUCVOH-WZUFQYTHSA-N
XLogP2.42
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.42
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

2,6-Dimethyl-4-chlorophenol
CID 70747
Ethanone, 1-(3,5-dichloro-2-hydroxyphenyl)-, oxime
CID 135520614
4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol
CID 2304556
4-Chloro-6-[1-(hydroxyamino)ethylidene]cyclohexa-2,4-dien-1-one
CID 135589127
o-Cresol, 4-chloro-6-ethyl-
CID 40738
5-Chloro-salicylaldehyde-guanylhydrazone
CID 248399
4-chloro-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-[(E)-hydroxyiminomethyl]benzene-1,3-diol
CID 145983905
3-tButylsalicylaldoxime
CID 135449550
Phenol, 4-chloro-2,6-diethyl-
CID 3041037
Phenol, 4-chloro-2-ethyl-6-propyl-
CID 3041038
n,n'-Bis(5-chlorosalicylidene)ethylenediamine
CID 375851
(1E)-5-chloro-2-hydroxy-benzaldehyde hydrazone
CID 135715621

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol?
The IUPAC name of 4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol (CID 135850197) is 4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol?
The canonical SMILES for 4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol is CCc1cc(Cl)cc(/C=N\O)c1O.
What is the InChIKey of 4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol?
The InChIKey is MJXMNZFQFUCVOH-WZUFQYTHSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-2-6-3-8(10)4-7(5-11-13)9(6)12/h3-5,12-13H,2H2,1H3/b11-5-.
What are the key properties of 4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol?
4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol has a molecular weight of 199.64 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-[(Z)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135850197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).