2-chloro-3,6-dimethylphenol

C8H9ClO — CID 10154171

IUPAC2-chloro-3,6-dimethylphenol
SMILESCc1ccc(C)c(Cl)c1O
InChIInChI=1S/C8H9ClO/c1-5-3-4-6(2)8(10)7(5)9/h3-4,10H,1-2H3
InChIKeyIWTHPYQNDPLHIX-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.66
Rot. Bonds

About 2-chloro-3,6-dimethylphenol

2-chloro-3,6-dimethylphenol (PubChem CID 10154171) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is 2-chloro-3,6-dimethylphenol.

Molecular Properties

Compound Name2-chloro-3,6-dimethylphenol
PubChem CID10154171
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name2-chloro-3,6-dimethylphenol
SMILESCc1ccc(C)c(Cl)c1O
InChIInChI=1S/C8H9ClO/c1-5-3-4-6(2)8(10)7(5)9/h3-4,10H,1-2H3
InChIKeyIWTHPYQNDPLHIX-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-dimethylphenol?
The IUPAC name of 2-chloro-3,6-dimethylphenol (CID 10154171) is 2-chloro-3,6-dimethylphenol.
What is the SMILES notation for 2-chloro-3,6-dimethylphenol?
The canonical SMILES for 2-chloro-3,6-dimethylphenol is Cc1ccc(C)c(Cl)c1O.
What is the InChIKey of 2-chloro-3,6-dimethylphenol?
The InChIKey is IWTHPYQNDPLHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c1-5-3-4-6(2)8(10)7(5)9/h3-4,10H,1-2H3.
What are the key properties of 2-chloro-3,6-dimethylphenol?
2-chloro-3,6-dimethylphenol has a molecular weight of 156.61 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-dimethylphenol is sourced from PubChem (CID 10154171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).