2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol

C11H15NO3 — CID 82077815

IUPAC2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol
SMILESC/C(=N\O)c1ccc(OCCO)c(C)c1
InChIInChI=1S/C11H15NO3/c1-8-7-10(9(2)12-14)3-4-11(8)15-6-5-13/h3-4,7,13-14H,5-6H2,1-2H3/b12-9+
InChIKeyDMEPFWACWOAREQ-FMIVXFBMSA-N
MW209.24 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol

2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol (PubChem CID 82077815) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol
PubChem CID82077815
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol
SMILESC/C(=N\O)c1ccc(OCCO)c(C)c1
InChIInChI=1S/C11H15NO3/c1-8-7-10(9(2)12-14)3-4-11(8)15-6-5-13/h3-4,7,13-14H,5-6H2,1-2H3/b12-9+
InChIKeyDMEPFWACWOAREQ-FMIVXFBMSA-N
XLogP1.56
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.56
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'}

Analyze 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol 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-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
CID 24704343
4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide
CID 60928966
2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
CID 24711373
4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355478
4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933357
(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine
CID 109374373
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
3-[4-(C,N-dimethylcarbonimidoyl)-2-methylphenoxy]prop-1-en-2-ol
CID 143784100
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide
CID 43330180
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol?
The IUPAC name of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol (CID 82077815) is 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol.
What is the SMILES notation for 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol?
The canonical SMILES for 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol is C/C(=N\O)c1ccc(OCCO)c(C)c1.
What is the InChIKey of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol?
The InChIKey is DMEPFWACWOAREQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-7-10(9(2)12-14)3-4-11(8)15-6-5-13/h3-4,7,13-14H,5-6H2,1-2H3/b12-9+.
What are the key properties of 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol?
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol has a molecular weight of 209.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol is sourced from PubChem (CID 82077815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).