2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride

C9H10Cl3NO — CID 3018938

IUPAC2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride
SMILESCC(C)=Nc1c(Cl)ccc(O)c1Cl.Cl
InChIInChI=1S/C9H9Cl2NO.ClH/c1-5(2)12-9-6(10)3-4-7(13)8(9)11;/h3-4,13H,1-2H3;1H
InChIKeyJEVUAWDMHOZTLE-UHFFFAOYSA-N
MW254.54 g/mol
LogP4.23
Rot. Bonds1

About 2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride

2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride (PubChem CID 3018938) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is 2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride
PubChem CID3018938
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC Name2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride
SMILESCC(C)=Nc1c(Cl)ccc(O)c1Cl.Cl
InChIInChI=1S/C9H9Cl2NO.ClH/c1-5(2)12-9-6(10)3-4-7(13)8(9)11;/h3-4,13H,1-2H3;1H
InChIKeyJEVUAWDMHOZTLE-UHFFFAOYSA-N
XLogP4.23
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-2,4-dichlorophenol
CID 3017276
5-Amino-2,4-dichlorophenol
CID 101471
2,4-Dichloro-3-nitrophenol
CID 20513932
3-Amino-2,4-dichlorophenol hydrochloride
CID 19898117
2,4-Dichlor-3-((isopropylidene)amino)phenol
CID 3018939
2-Chloro-4-fluoro-5-(pentan-3-ylideneamino)phenol
CID 19787429
5-(Butan-2-ylideneamino)-2-chloro-4-fluorophenol
CID 19787431
2-Chloro-5-(cyclohexylideneamino)-4-fluorophenol
CID 19787433
3-Amino-2,4,6-trichlorophenol
CID 459239
5-Amino-2,4-dichlorophenol hydrochloride
CID 13461329
2,4-Dichloro-3-(4-methylpentan-2-ylideneamino)phenol
CID 20488768
2,4-Dichloro-3-(4-methylpentan-2-ylideneamino)phenol;hydrochloride
CID 20488769

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride?
The IUPAC name of 2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride (CID 3018938) is 2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride.
What is the SMILES notation for 2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride?
The canonical SMILES for 2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride is CC(C)=Nc1c(Cl)ccc(O)c1Cl.Cl.
What is the InChIKey of 2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride?
The InChIKey is JEVUAWDMHOZTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO.ClH/c1-5(2)12-9-6(10)3-4-7(13)8(9)11;/h3-4,13H,1-2H3;1H.
What are the key properties of 2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride?
2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride has a molecular weight of 254.54 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(propan-2-ylideneamino)phenol;hydrochloride is sourced from PubChem (CID 3018938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).