4-chloro-2-(2,2-dimethylpropylideneamino)phenol

C11H14ClNO — CID 130289575

IUPAC4-chloro-2-(2,2-dimethylpropylideneamino)phenol
SMILESCC(C)(C)/C=N/c1cc(Cl)ccc1O
InChIInChI=1S/C11H14ClNO/c1-11(2,3)7-13-9-6-8(12)4-5-10(9)14/h4-7,14H,1-3H3/b13-7+
InChIKeyUPZCWZYQSDQVOQ-NTUHNPAUSA-N
MW211.69 g/mol
LogP3.79
Rot. Bonds1

About 4-chloro-2-(2,2-dimethylpropylideneamino)phenol

4-chloro-2-(2,2-dimethylpropylideneamino)phenol (PubChem CID 130289575) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethylpropylideneamino)phenol.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethylpropylideneamino)phenol
PubChem CID130289575
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-chloro-2-(2,2-dimethylpropylideneamino)phenol
SMILESCC(C)(C)/C=N/c1cc(Cl)ccc1O
InChIInChI=1S/C11H14ClNO/c1-11(2,3)7-13-9-6-8(12)4-5-10(9)14/h4-7,14H,1-3H3/b13-7+
InChIKeyUPZCWZYQSDQVOQ-NTUHNPAUSA-N
XLogP3.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.79
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-(2,2-dimethylpropylideneamino)phenol?
The IUPAC name of 4-chloro-2-(2,2-dimethylpropylideneamino)phenol (CID 130289575) is 4-chloro-2-(2,2-dimethylpropylideneamino)phenol.
What is the SMILES notation for 4-chloro-2-(2,2-dimethylpropylideneamino)phenol?
The canonical SMILES for 4-chloro-2-(2,2-dimethylpropylideneamino)phenol is CC(C)(C)/C=N/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(2,2-dimethylpropylideneamino)phenol?
The InChIKey is UPZCWZYQSDQVOQ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-11(2,3)7-13-9-6-8(12)4-5-10(9)14/h4-7,14H,1-3H3/b13-7+.
What are the key properties of 4-chloro-2-(2,2-dimethylpropylideneamino)phenol?
4-chloro-2-(2,2-dimethylpropylideneamino)phenol has a molecular weight of 211.69 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethylpropylideneamino)phenol is sourced from PubChem (CID 130289575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).