2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

C10H12N2O3 — CID 172651756

IUPAC2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1ccc(O)c(/C(C)=N/O)c1
InChIInChI=1S/C10H12N2O3/c1-6(11-14)8-3-4-10(13)9(5-8)7(2)12-15/h3-5,13-15H,1-2H3/b11-6+,12-7+
InChIKeySMKKREVMSGDZPL-GNXRPPCSSA-N
MW208.22 g/mol
LogP1.79
Rot. Bonds2

About 2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 172651756) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID172651756
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1ccc(O)c(/C(C)=N/O)c1
InChIInChI=1S/C10H12N2O3/c1-6(11-14)8-3-4-10(13)9(5-8)7(2)12-15/h3-5,13-15H,1-2H3/b11-6+,12-7+
InChIKeySMKKREVMSGDZPL-GNXRPPCSSA-N
XLogP1.79
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.79
H-Bond Donors ≤ 53
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'}

Analyze 2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 137191057
2-[(E)-1-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-4-hydroxyphenyl]ethylideneamino]guanidine
CID 135527034
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol
CID 137262701
5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 115298806
5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107729682
4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135698782
4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 177487240
(NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine
CID 71620020

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 172651756) is 2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N\O)c1ccc(O)c(/C(C)=N/O)c1.
What is the InChIKey of 2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is SMKKREVMSGDZPL-GNXRPPCSSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6(11-14)8-3-4-10(13)9(5-8)7(2)12-15/h3-5,13-15H,1-2H3/b11-6+,12-7+.
What are the key properties of 2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 208.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 172651756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).