2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol

C9H11ClN2O — CID 4558651

IUPAC2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol
SMILESOCCNN=Cc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-9-3-1-2-8(6-9)7-12-11-4-5-13/h1-3,6-7,11,13H,4-5H2
InChIKeyRHSSOZVONLKDDX-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.26
Rot. Bonds4

About 2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol

2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol (PubChem CID 4558651) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol
PubChem CID4558651
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol
SMILESOCCNN=Cc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-9-3-1-2-8(6-9)7-12-11-4-5-13/h1-3,6-7,11,13H,4-5H2
InChIKeyRHSSOZVONLKDDX-UHFFFAOYSA-N
XLogP1.26
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzylidene)-2-hydroxyacetohydrazide
CID 6895620
Acetic acid, hydroxy-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9579898
Hydroxy-acetic acid (2,3-dichloro-benzylidene)-hydrazide
CID 9557178
2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]acetic acid
CID 12385426
Benzaldehyde (2-hydroxyethyl)hydrazone
CID 70531719
2-[2-[(2-Fluorophenyl)methylidene]hydrazinyl]ethanol
CID 110839940
2-[2-[(3-Fluorophenyl)methylidene]hydrazinyl]ethanol
CID 110840009
2-[2-[(2-Chloro-6-fluorophenyl)methylidene]hydrazinyl]ethanol
CID 110840050
2-[2-[(4-Fluorophenyl)methylidene]hydrazinyl]ethanol
CID 110840146
N-[(2,3-dichlorophenyl)methylideneamino]-2-hydroxyacetamide
CID 766676
N-[(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide
CID 781451
2-Chlorobenzaldehyde glycolylhydrazone
CID 682234

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol (CID 4558651) is 2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol is OCCNN=Cc1cccc(Cl)c1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol?
The InChIKey is RHSSOZVONLKDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-9-3-1-2-8(6-9)7-12-11-4-5-13/h1-3,6-7,11,13H,4-5H2.
What are the key properties of 2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol?
2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol has a molecular weight of 198.65 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]ethanol is sourced from PubChem (CID 4558651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).