2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol

C8H10N2O3 — CID 171131966

IUPAC2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol
SMILESCOc1cc(C=NO)cc(N)c1O
InChIInChI=1S/C8H10N2O3/c1-13-7-3-5(4-10-12)2-6(9)8(7)11/h2-4,11-12H,9H2,1H3
InChIKeyFQFNUMMKKBJGOS-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.79
Rot. Bonds2

About 2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol

2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol (PubChem CID 171131966) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol
PubChem CID171131966
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol
SMILESCOc1cc(C=NO)cc(N)c1O
InChIInChI=1S/C8H10N2O3/c1-13-7-3-5(4-10-12)2-6(9)8(7)11/h2-4,11-12H,9H2,1H3
InChIKeyFQFNUMMKKBJGOS-UHFFFAOYSA-N
XLogP0.79
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
(NZ)-N-[(3-iodo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 5407943
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
4-[(dimethylhydrazinylidene)methyl]-2,6-dimethoxyphenol
CID 2344023
2-amino-4-(aminomethyl)-6-methoxyphenol
CID 91902669
ethyl 3-(3-amino-4-hydroxy-5-methoxyphenyl)-2-methylprop-2-enoate
CID 70541669
(NZ)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
CID 87388843
(NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
CID 58938988
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994
2-amino-4-(chloromethyl)-6-methoxyphenol
CID 94776906
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 5398997

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol?
The IUPAC name of 2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol (CID 171131966) is 2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol.
What is the SMILES notation for 2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol?
The canonical SMILES for 2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol is COc1cc(C=NO)cc(N)c1O.
What is the InChIKey of 2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol?
The InChIKey is FQFNUMMKKBJGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-7-3-5(4-10-12)2-6(9)8(7)11/h2-4,11-12H,9H2,1H3.
What are the key properties of 2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol?
2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol has a molecular weight of 182.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol is sourced from PubChem (CID 171131966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).