4-chloro-2-(propan-2-ylideneamino)phenol

C9H10ClNO — CID 101067492

IUPAC4-chloro-2-(propan-2-ylideneamino)phenol
SMILESCC(C)=Nc1cc(Cl)ccc1O
InChIInChI=1S/C9H10ClNO/c1-6(2)11-8-5-7(10)3-4-9(8)12/h3-5,12H,1-2H3
InChIKeyKGWHFOGYFFKCSK-UHFFFAOYSA-N
MW183.64 g/mol
LogP3.16
Rot. Bonds1

About 4-chloro-2-(propan-2-ylideneamino)phenol

4-chloro-2-(propan-2-ylideneamino)phenol (PubChem CID 101067492) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 4-chloro-2-(propan-2-ylideneamino)phenol.

Molecular Properties

Compound Name4-chloro-2-(propan-2-ylideneamino)phenol
PubChem CID101067492
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name4-chloro-2-(propan-2-ylideneamino)phenol
SMILESCC(C)=Nc1cc(Cl)ccc1O
InChIInChI=1S/C9H10ClNO/c1-6(2)11-8-5-7(10)3-4-9(8)12/h3-5,12H,1-2H3
InChIKeyKGWHFOGYFFKCSK-UHFFFAOYSA-N
XLogP3.16
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 53.16
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-(propan-2-ylideneamino)phenol?
The IUPAC name of 4-chloro-2-(propan-2-ylideneamino)phenol (CID 101067492) is 4-chloro-2-(propan-2-ylideneamino)phenol.
What is the SMILES notation for 4-chloro-2-(propan-2-ylideneamino)phenol?
The canonical SMILES for 4-chloro-2-(propan-2-ylideneamino)phenol is CC(C)=Nc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(propan-2-ylideneamino)phenol?
The InChIKey is KGWHFOGYFFKCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6(2)11-8-5-7(10)3-4-9(8)12/h3-5,12H,1-2H3.
What are the key properties of 4-chloro-2-(propan-2-ylideneamino)phenol?
4-chloro-2-(propan-2-ylideneamino)phenol has a molecular weight of 183.64 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(propan-2-ylideneamino)phenol is sourced from PubChem (CID 101067492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).