1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol

C18H20Cl2O2 — CID 25061372

IUPAC1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol
SMILESOCCCCCC(O)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H20Cl2O2/c19-15-9-10-16(17(20)12-15)13-5-7-14(8-6-13)18(22)4-2-1-3-11-21/h5-10,12,18,21-22H,1-4,11H2
InChIKeyXSRUFIHKQNWPAD-UHFFFAOYSA-N
MW339.26 g/mol
LogP5.25
Rot. Bonds7

About 1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol

1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol (PubChem CID 25061372) has the molecular formula C18H20Cl2O2 and a molecular weight of 339.26 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol
PubChem CID25061372
Molecular FormulaC18H20Cl2O2
Molecular Weight339.26 g/mol
Exact Mass338.08
IUPAC Name1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol
SMILESOCCCCCC(O)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H20Cl2O2/c19-15-9-10-16(17(20)12-15)13-5-7-14(8-6-13)18(22)4-2-1-3-11-21/h5-10,12,18,21-22H,1-4,11H2
InChIKeyXSRUFIHKQNWPAD-UHFFFAOYSA-N
XLogP5.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.26
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol?
The IUPAC name of 1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol (CID 25061372) is 1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol.
What is the SMILES notation for 1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol?
The canonical SMILES for 1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol is OCCCCCC(O)c1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol?
The InChIKey is XSRUFIHKQNWPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O2/c19-15-9-10-16(17(20)12-15)13-5-7-14(8-6-13)18(22)4-2-1-3-11-21/h5-10,12,18,21-22H,1-4,11H2.
What are the key properties of 1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol?
1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol has a molecular weight of 339.26 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenyl)phenyl]hexane-1,6-diol is sourced from PubChem (CID 25061372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).