4-chloro-2-(ethylideneamino)phenol

C8H8ClNO — CID 130289639

IUPAC4-chloro-2-(ethylideneamino)phenol
SMILESC/C=N/c1cc(Cl)ccc1O
InChIInChI=1S/C8H8ClNO/c1-2-10-7-5-6(9)3-4-8(7)11/h2-5,11H,1H3/b10-2+
InChIKeyPPIDCZSVJVGKNN-WTDSWWLTSA-N
MW169.61 g/mol
LogP2.77
Rot. Bonds1

About 4-chloro-2-(ethylideneamino)phenol

4-chloro-2-(ethylideneamino)phenol (PubChem CID 130289639) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 4-chloro-2-(ethylideneamino)phenol.

Molecular Properties

Compound Name4-chloro-2-(ethylideneamino)phenol
PubChem CID130289639
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name4-chloro-2-(ethylideneamino)phenol
SMILESC/C=N/c1cc(Cl)ccc1O
InChIInChI=1S/C8H8ClNO/c1-2-10-7-5-6(9)3-4-8(7)11/h2-5,11H,1H3/b10-2+
InChIKeyPPIDCZSVJVGKNN-WTDSWWLTSA-N
XLogP2.77
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethylideneamino)phenol?
The IUPAC name of 4-chloro-2-(ethylideneamino)phenol (CID 130289639) is 4-chloro-2-(ethylideneamino)phenol.
What is the SMILES notation for 4-chloro-2-(ethylideneamino)phenol?
The canonical SMILES for 4-chloro-2-(ethylideneamino)phenol is C/C=N/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(ethylideneamino)phenol?
The InChIKey is PPIDCZSVJVGKNN-WTDSWWLTSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-2-10-7-5-6(9)3-4-8(7)11/h2-5,11H,1H3/b10-2+.
What are the key properties of 4-chloro-2-(ethylideneamino)phenol?
4-chloro-2-(ethylideneamino)phenol has a molecular weight of 169.61 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethylideneamino)phenol is sourced from PubChem (CID 130289639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).