2,4-dichloro-3,5-dimethylphenol

C8H8Cl2O — CID 8621

IUPAC2,4-dichloro-3,5-dimethylphenol
SMILESCc1cc(O)c(Cl)c(C)c1Cl
InChIInChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3
InChIKeyIYOLBFFHPZOQGW-UHFFFAOYSA-N
MW191.06 g/mol
LogP3.32
Rot. Bonds

About 2,4-dichloro-3,5-dimethylphenol

2,4-dichloro-3,5-dimethylphenol (PubChem CID 8621) has the molecular formula C8H8Cl2O and a molecular weight of 191.06 g/mol. Its IUPAC name is 2,4-dichloro-3,5-dimethylphenol.

Molecular Properties

Compound Name2,4-dichloro-3,5-dimethylphenol
PubChem CID8621
Molecular FormulaC8H8Cl2O
Molecular Weight191.06 g/mol
Exact Mass190.00
IUPAC Name2,4-dichloro-3,5-dimethylphenol
SMILESCc1cc(O)c(Cl)c(C)c1Cl
InChIInChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3
InChIKeyIYOLBFFHPZOQGW-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3,5-dimethylphenol?
The IUPAC name of 2,4-dichloro-3,5-dimethylphenol (CID 8621) is 2,4-dichloro-3,5-dimethylphenol.
What is the SMILES notation for 2,4-dichloro-3,5-dimethylphenol?
The canonical SMILES for 2,4-dichloro-3,5-dimethylphenol is Cc1cc(O)c(Cl)c(C)c1Cl.
What is the InChIKey of 2,4-dichloro-3,5-dimethylphenol?
The InChIKey is IYOLBFFHPZOQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3.
What are the key properties of 2,4-dichloro-3,5-dimethylphenol?
2,4-dichloro-3,5-dimethylphenol has a molecular weight of 191.06 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3,5-dimethylphenol is sourced from PubChem (CID 8621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).