4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol

C8H8INO3 — CID 135468128

IUPAC4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol
SMILESCOc1cc(/C=N/O)cc(I)c1O
InChIInChI=1S/C8H8INO3/c1-13-7-3-5(4-10-12)2-6(9)8(7)11/h2-4,11-12H,1H3/b10-4+
InChIKeyKYZYXSBHGCSDOF-ONNFQVAWSA-N
MW293.06 g/mol
LogP1.81
Rot. Bonds2

About 4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol

4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol (PubChem CID 135468128) has the molecular formula C8H8INO3 and a molecular weight of 293.06 g/mol. Its IUPAC name is 4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol
PubChem CID135468128
Molecular FormulaC8H8INO3
Molecular Weight293.06 g/mol
Exact Mass292.95
IUPAC Name4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol
SMILESCOc1cc(/C=N/O)cc(I)c1O
InChIInChI=1S/C8H8INO3/c1-13-7-3-5(4-10-12)2-6(9)8(7)11/h2-4,11-12H,1H3/b10-4+
InChIKeyKYZYXSBHGCSDOF-ONNFQVAWSA-N
XLogP1.81
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

Veratraldoxime
CID 6861469
Benzaldehyde, 4-hydroxy-3-methoxy-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazone
CID 135414383
3,4-dihydroxybenzaldehyde-O-ethyloxime
CID 136180746
3-Ethoxy-4-hydroxybenzaldehyde (3-ethoxy-4-hydroxybenzylidene)hydrazone
CID 135418706
N-[(3,4-Dimethoxyphenyl)methylidene]hydroxylamine
CID 16577
o-Vanillin oxime
CID 135460299
3,4,5-Trimethoxybenzaldehyde oxime
CID 6875502
(C(E))-4-Hydroxy-3-methoxybenzaldehyde oxime
CID 135431232
o-Veratraldehyde, oxime
CID 6871292
N,N'-Divanillylideneethylenediamine
CID 1809459
1,2-Bis(2-hydroxy-3-methoxybenzylidene)hydrazine
CID 135473163
4-Hydroxy-3-methoxybenzaldehyde 2-((4-hydroxy-3-methoxyphenyl)methylene)hydrazone
CID 74331

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol?
The IUPAC name of 4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol (CID 135468128) is 4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol.
What is the SMILES notation for 4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol?
The canonical SMILES for 4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol is COc1cc(/C=N/O)cc(I)c1O.
What is the InChIKey of 4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol?
The InChIKey is KYZYXSBHGCSDOF-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H8INO3/c1-13-7-3-5(4-10-12)2-6(9)8(7)11/h2-4,11-12H,1H3/b10-4+.
What are the key properties of 4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol?
4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol has a molecular weight of 293.06 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol is sourced from PubChem (CID 135468128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).