2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol

C9H11NO3 — CID 137263283

IUPAC2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol
SMILESCO/N=C/c1ccc(O)c(CO)c1
InChIInChI=1S/C9H11NO3/c1-13-10-5-7-2-3-9(12)8(4-7)6-11/h2-5,11-12H,6H2,1H3/b10-5+
InChIKeyXTVBALSRMGJDHA-BJMVGYQFSA-N
MW181.19 g/mol
LogP0.86
Rot. Bonds3

About 2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol

2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol (PubChem CID 137263283) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol
PubChem CID137263283
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol
SMILESCO/N=C/c1ccc(O)c(CO)c1
InChIInChI=1S/C9H11NO3/c1-13-10-5-7-2-3-9(12)8(4-7)6-11/h2-5,11-12H,6H2,1H3/b10-5+
InChIKeyXTVBALSRMGJDHA-BJMVGYQFSA-N
XLogP0.86
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 135443391
2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid
CID 135598743
5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol
CID 121295383
2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol
CID 123931349
(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine
CID 53468142
[2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone
CID 58785106
(E)-1-(4-ethylphenyl)-N-methoxymethanimine
CID 89096123
2-(hydroxymethyl)-4-(methylamino)phenol
CID 15333568
1-(2-chloro-4-hydroxy-3-methoxyphenyl)-5-[4-hydroxy-3-(hydroxymethyl)phenyl]penta-1,4-dien-3-one
CID 123470022
2-[(E)-methoxyiminomethyl]-4-methylphenol
CID 137270598
(3Z,5E)-1,4-dihydroxy-6-[4-hydroxy-3-(hydroxymethyl)phenyl]hexa-3,5-dien-2-one
CID 130295541

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol?
The IUPAC name of 2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol (CID 137263283) is 2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol is CO/N=C/c1ccc(O)c(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol?
The InChIKey is XTVBALSRMGJDHA-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H11NO3/c1-13-10-5-7-2-3-9(12)8(4-7)6-11/h2-5,11-12H,6H2,1H3/b10-5+.
What are the key properties of 2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol?
2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol has a molecular weight of 181.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol is sourced from PubChem (CID 137263283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).