4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol

C9H11NO4 — CID 135850199

IUPAC4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N\O)cc(OC)c1O
InChIInChI=1S/C9H11NO4/c1-13-7-3-6(5-10-12)4-8(14-2)9(7)11/h3-5,11-12H,1-2H3/b10-5-
InChIKeyHWNAFGCZZCDVBB-YHYXMXQVSA-N
MW197.19 g/mol
LogP1.22
Rot. Bonds3

About 4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol

4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol (PubChem CID 135850199) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol
PubChem CID135850199
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N\O)cc(OC)c1O
InChIInChI=1S/C9H11NO4/c1-13-7-3-6(5-10-12)4-8(14-2)9(7)11/h3-5,11-12H,1-2H3/b10-5-
InChIKeyHWNAFGCZZCDVBB-YHYXMXQVSA-N
XLogP1.22
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.22
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

Isorhapontigenin
CID 5318650
4-Methyl-2,6-dimethoxyphenol
CID 240925
4-Allyl-2,6-dimethoxyphenol
CID 226486
4-Vinylsyringol
CID 35960
2,6-Dimethoxy-4-propenylphenol,(E)-
CID 5352905
Sinapyl alcohol
CID 5280507
4-Ethylsyringol
CID 61712
4-Propyl-2,6-dimethoxyphenol
CID 524975
Syringic alcohol
CID 10741
Rhapontigenin
CID 5320954
4-(3-Hydroxypropyl)-2,6-Dimethoxyphenol
CID 529893
5-(3-Hydroxypropyl)-2,3-dimethoxyphenol
CID 72942686

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol (CID 135850199) is 4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol is COc1cc(/C=N\O)cc(OC)c1O.
What is the InChIKey of 4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol?
The InChIKey is HWNAFGCZZCDVBB-YHYXMXQVSA-N. The full InChI is InChI=1S/C9H11NO4/c1-13-7-3-6(5-10-12)4-8(14-2)9(7)11/h3-5,11-12H,1-2H3/b10-5-.
What are the key properties of 4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol?
4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol has a molecular weight of 197.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-hydroxyiminomethyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135850199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).