4-chloro-2-[(E)-ethoxyiminomethyl]phenol

C9H10ClNO2 — CID 135674625

IUPAC4-chloro-2-[(E)-ethoxyiminomethyl]phenol
SMILESCCO/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C9H10ClNO2/c1-2-13-11-6-7-5-8(10)3-4-9(7)12/h3-6,12H,2H2,1H3/b11-6+
InChIKeyYJFNMUYIPSGZKC-IZZDOVSWSA-N
MW199.64 g/mol
LogP2.42
Rot. Bonds3

About 4-chloro-2-[(E)-ethoxyiminomethyl]phenol

4-chloro-2-[(E)-ethoxyiminomethyl]phenol (PubChem CID 135674625) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 4-chloro-2-[(E)-ethoxyiminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-ethoxyiminomethyl]phenol
PubChem CID135674625
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name4-chloro-2-[(E)-ethoxyiminomethyl]phenol
SMILESCCO/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C9H10ClNO2/c1-2-13-11-6-7-5-8(10)3-4-9(7)12/h3-6,12H,2H2,1H3/b11-6+
InChIKeyYJFNMUYIPSGZKC-IZZDOVSWSA-N
XLogP2.42
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol
CID 136832239
4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol
CID 137303928
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethylphenol
CID 759206
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
[4-chloro-2-(ethoxyiminomethyl)phenyl] N-propylcarbamate
CID 54338352
5-(ethoxyiminomethyl)benzene-1,2,3-triol
CID 136660682
ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
CID 173365405
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 135648337
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile
CID 135751917
2-[2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile
CID 2315853
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577243

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-ethoxyiminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-ethoxyiminomethyl]phenol (CID 135674625) is 4-chloro-2-[(E)-ethoxyiminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-ethoxyiminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-ethoxyiminomethyl]phenol is CCO/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(E)-ethoxyiminomethyl]phenol?
The InChIKey is YJFNMUYIPSGZKC-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-2-13-11-6-7-5-8(10)3-4-9(7)12/h3-6,12H,2H2,1H3/b11-6+.
What are the key properties of 4-chloro-2-[(E)-ethoxyiminomethyl]phenol?
4-chloro-2-[(E)-ethoxyiminomethyl]phenol has a molecular weight of 199.64 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-ethoxyiminomethyl]phenol is sourced from PubChem (CID 135674625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).