2-[(E)-hydroxyiminomethyl]-3-methoxyphenol

C8H9NO3 — CID 135755375

IUPAC2-[(E)-hydroxyiminomethyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1/C=N/O
InChIInChI=1S/C8H9NO3/c1-12-8-4-2-3-7(10)6(8)5-9-11/h2-5,10-11H,1H3/b9-5+
InChIKeyBONJUTUMJQCTFW-WEVVVXLNSA-N
MW167.16 g/mol
LogP1.21
Rot. Bonds2

About 2-[(E)-hydroxyiminomethyl]-3-methoxyphenol

2-[(E)-hydroxyiminomethyl]-3-methoxyphenol (PubChem CID 135755375) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-3-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-3-methoxyphenol
PubChem CID135755375
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-[(E)-hydroxyiminomethyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1/C=N/O
InChIInChI=1S/C8H9NO3/c1-12-8-4-2-3-7(10)6(8)5-9-11/h2-5,10-11H,1H3/b9-5+
InChIKeyBONJUTUMJQCTFW-WEVVVXLNSA-N
XLogP1.21
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 137098219
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
(Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
CID 96869545
3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol
CID 141105090
3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
CID 53403961
[3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone
CID 88904908
2-(3H-benzimidazol-5-yliminomethyl)-3-methoxyphenol
CID 622517
(NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 22397383
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
(NZ)-N-[(7-methoxy-1-benzofuran-3-yl)methylidene]hydroxylamine
CID 177496545

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]-3-methoxyphenol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-3-methoxyphenol (CID 135755375) is 2-[(E)-hydroxyiminomethyl]-3-methoxyphenol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-3-methoxyphenol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-3-methoxyphenol is COc1cccc(O)c1/C=N/O.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-3-methoxyphenol?
The InChIKey is BONJUTUMJQCTFW-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-8-4-2-3-7(10)6(8)5-9-11/h2-5,10-11H,1H3/b9-5+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-3-methoxyphenol?
2-[(E)-hydroxyiminomethyl]-3-methoxyphenol has a molecular weight of 167.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-3-methoxyphenol is sourced from PubChem (CID 135755375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).