2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol

C9H9Cl2NO4 — CID 136955178

IUPAC2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol
SMILESCOc1c(Cl)c(O)c(/C=N/O)c(OC)c1Cl
InChIInChI=1S/C9H9Cl2NO4/c1-15-8-4(3-12-14)7(13)5(10)9(16-2)6(8)11/h3,13-14H,1-2H3/b12-3+
InChIKeyWVTRWIYZBHOVOW-KGVSQERTSA-N
MW266.08 g/mol
LogP2.52
Rot. Bonds3

About 2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol

2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol (PubChem CID 136955178) has the molecular formula C9H9Cl2NO4 and a molecular weight of 266.08 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol
PubChem CID136955178
Molecular FormulaC9H9Cl2NO4
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol
SMILESCOc1c(Cl)c(O)c(/C=N/O)c(OC)c1Cl
InChIInChI=1S/C9H9Cl2NO4/c1-15-8-4(3-12-14)7(13)5(10)9(16-2)6(8)11/h3,13-14H,1-2H3/b12-3+
InChIKeyWVTRWIYZBHOVOW-KGVSQERTSA-N
XLogP2.52
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(Aminomethyl)-4,6-dichloro-3,5-dimethoxyphenol;hydrochloride
CID 12868877
4,6-Dichloro-2-hexyl-5-methoxybenzene-1,3-diol
CID 88291545
2-(Aminomethyl)-4,6-dichloro-3,5-dimethoxyphenol
CID 12868876
3,5-Dichloro-2,4,6-trimethoxybenzonitrile oxide
CID 166001565
[3,5-Dichloro-2-(difluoromethoxy)-4,6-dimethoxyphenyl]methanol
CID 172416111
2,2-Dioxo-5,7-dimethoxy-6,8-dichloro-1,2,3-benzoxathiazine
CID 23342891
2,4-Dichloro-3-methoxy-6-methylphenol
CID 59082525
5-Chloro-2,4-dimethoxybenzaldehyde oxime
CID 85989599
(NZ)-N-[(5-chloro-2,4-dimethoxyphenyl)methylidene]hydroxylamine
CID 87389053
2,4-Dichloro-6-hexyl-5-methoxybenzene-1,3-diol
CID 88291403
3,5-Dichloro-4,6,-dimethoxysalicylaldoxime
CID 136460024
2-Chloro-4-(methylperoxyiminomethyl)benzene-1,3,5-triol
CID 141741052

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol?
The IUPAC name of 2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol (CID 136955178) is 2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol is COc1c(Cl)c(O)c(/C=N/O)c(OC)c1Cl.
What is the InChIKey of 2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol?
The InChIKey is WVTRWIYZBHOVOW-KGVSQERTSA-N. The full InChI is InChI=1S/C9H9Cl2NO4/c1-15-8-4(3-12-14)7(13)5(10)9(16-2)6(8)11/h3,13-14H,1-2H3/b12-3+.
What are the key properties of 2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol?
2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol has a molecular weight of 266.08 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-hydroxyiminomethyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 136955178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).