2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol

C10H13NO2 — CID 3456500

IUPAC2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\CCO)c1ccccc1O
InChIInChI=1S/C10H13NO2/c1-8(11-6-7-12)9-4-2-3-5-10(9)13/h2-5,12-13H,6-7H2,1H3/b11-8+
InChIKeyHCKRCDKBTNEERR-DHZHZOJOSA-N
MW179.22 g/mol
LogP1.19
Rot. Bonds3

About 2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol

2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol (PubChem CID 3456500) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol
PubChem CID3456500
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\CCO)c1ccccc1O
InChIInChI=1S/C10H13NO2/c1-8(11-6-7-12)9-4-2-3-5-10(9)13/h2-5,12-13H,6-7H2,1H3/b11-8+
InChIKeyHCKRCDKBTNEERR-DHZHZOJOSA-N
XLogP1.19
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[N-(2-hydroxyethyl)-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

Pulicatin A
CID 136020617
Pulicatin B
CID 136020618
Aerugine
CID 136030596
Alpha-(2-hydroxyethylimino)-P-cresol
CID 121565
Oletimol
CID 71840
2-{(1Z)-1-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]ethyl}phenol
CID 135635666
Nocazoline A
CID 136099212
2-(4',4'-Dimethyl-3',4'-dihydrooxazol-2'-yl)phenol
CID 3074828
4'-Hydroxyacetophenone Oxime
CID 96522
Phenol, 2-[[[3-(octyloxy)propyl]imino]methyl]-
CID 138319515
2-((2-Hydroxy-3,5-diiodobenzylidene)amino)-2-methyl-1,3-propanediol
CID 271182
3-(2,3,4,5-Tetrahydropyridin-6-yl)phenol
CID 127028304

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol (CID 3456500) is 2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol is C/C(=N\CCO)c1ccccc1O.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol?
The InChIKey is HCKRCDKBTNEERR-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(11-6-7-12)9-4-2-3-5-10(9)13/h2-5,12-13H,6-7H2,1H3/b11-8+.
What are the key properties of 2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol?
2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol has a molecular weight of 179.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 3456500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).