2,5-dichlorophenol

C6H4Cl2O — CID 66

IUPAC2,5-dichlorophenol
SMILESOc1cc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKeyRANCECPPZPIPNO-UHFFFAOYSA-N
MW163.00 g/mol
LogP2.70
Rot. Bonds

About 2,5-dichlorophenol

2,5-dichlorophenol (PubChem CID 66) has the molecular formula C6H4Cl2O and a molecular weight of 163.00 g/mol. Its IUPAC name is 2,5-dichlorophenol.

Molecular Properties

Compound Name2,5-dichlorophenol
PubChem CID66
Molecular FormulaC6H4Cl2O
Molecular Weight163.00 g/mol
Exact Mass161.96
IUPAC Name2,5-dichlorophenol
SMILESOc1cc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKeyRANCECPPZPIPNO-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.00
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorophenol?
The IUPAC name of 2,5-dichlorophenol (CID 66) is 2,5-dichlorophenol.
What is the SMILES notation for 2,5-dichlorophenol?
The canonical SMILES for 2,5-dichlorophenol is Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichlorophenol?
The InChIKey is RANCECPPZPIPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H.
What are the key properties of 2,5-dichlorophenol?
2,5-dichlorophenol has a molecular weight of 163.00 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorophenol is sourced from PubChem (CID 66), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).