2,6-dichloro-4-(4-hydroxyanilino)phenol

C12H9Cl2NO2 — CID 622906

IUPAC2,6-dichloro-4-(4-hydroxyanilino)phenol
SMILESOc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H
InChIKeyIFTGQCOAUCEONK-UHFFFAOYSA-N
MW270.12 g/mol
LogP4.15
Rot. Bonds2

About 2,6-dichloro-4-(4-hydroxyanilino)phenol

2,6-dichloro-4-(4-hydroxyanilino)phenol (PubChem CID 622906) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 2,6-dichloro-4-(4-hydroxyanilino)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(4-hydroxyanilino)phenol
PubChem CID622906
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name2,6-dichloro-4-(4-hydroxyanilino)phenol
SMILESOc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H
InChIKeyIFTGQCOAUCEONK-UHFFFAOYSA-N
XLogP4.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-(4-hydroxyanilino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chloro-4-methoxyanilino)phenol
CID 82537279
5-(4-hydroxyanilino)benzene-1,3-dicarboxylic acid
CID 118352492
4-(4-propan-2-ylanilino)phenol
CID 21326552
2,6-dichloro-4-[(3,5-dichloro-4-hydroxyphenyl)-bis(4-hydroxyphenyl)methyl]phenol
CID 159764746
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128
2-[1-(3,5-dichloro-4-hydroxyanilino)ethyl]benzene-1,4-diol
CID 107679453
3-(4-chloroanilino)phenol
CID 22350263
2,6-dichloro-4-(ethylamino)phenol
CID 82550826
2-(4-hydroxyanilino)benzene-1,4-diol
CID 171920009
2-[4-(4-hydroxyanilino)anilino]phenol
CID 139796007
4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
CID 150084740

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(4-hydroxyanilino)phenol?
The IUPAC name of 2,6-dichloro-4-(4-hydroxyanilino)phenol (CID 622906) is 2,6-dichloro-4-(4-hydroxyanilino)phenol.
What is the SMILES notation for 2,6-dichloro-4-(4-hydroxyanilino)phenol?
The canonical SMILES for 2,6-dichloro-4-(4-hydroxyanilino)phenol is Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1.
What is the InChIKey of 2,6-dichloro-4-(4-hydroxyanilino)phenol?
The InChIKey is IFTGQCOAUCEONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H.
What are the key properties of 2,6-dichloro-4-(4-hydroxyanilino)phenol?
2,6-dichloro-4-(4-hydroxyanilino)phenol has a molecular weight of 270.12 g/mol, XLogP of 4.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(4-hydroxyanilino)phenol is sourced from PubChem (CID 622906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).