4-chloro-2,6-diethyl-3,5-dimethylphenol

C12H17ClO — CID 175454218

IUPAC4-chloro-2,6-diethyl-3,5-dimethylphenol
SMILESCCc1c(C)c(Cl)c(C)c(CC)c1O
InChIInChI=1S/C12H17ClO/c1-5-9-7(3)11(13)8(4)10(6-2)12(9)14/h14H,5-6H2,1-4H3
InChIKeyOHQGLHMMDLQEJU-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.79
Rot. Bonds2

About 4-chloro-2,6-diethyl-3,5-dimethylphenol

4-chloro-2,6-diethyl-3,5-dimethylphenol (PubChem CID 175454218) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-chloro-2,6-diethyl-3,5-dimethylphenol.

Molecular Properties

Compound Name4-chloro-2,6-diethyl-3,5-dimethylphenol
PubChem CID175454218
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name4-chloro-2,6-diethyl-3,5-dimethylphenol
SMILESCCc1c(C)c(Cl)c(C)c(CC)c1O
InChIInChI=1S/C12H17ClO/c1-5-9-7(3)11(13)8(4)10(6-2)12(9)14/h14H,5-6H2,1-4H3
InChIKeyOHQGLHMMDLQEJU-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-diethyl-3,5-dimethylphenol?
The IUPAC name of 4-chloro-2,6-diethyl-3,5-dimethylphenol (CID 175454218) is 4-chloro-2,6-diethyl-3,5-dimethylphenol.
What is the SMILES notation for 4-chloro-2,6-diethyl-3,5-dimethylphenol?
The canonical SMILES for 4-chloro-2,6-diethyl-3,5-dimethylphenol is CCc1c(C)c(Cl)c(C)c(CC)c1O.
What is the InChIKey of 4-chloro-2,6-diethyl-3,5-dimethylphenol?
The InChIKey is OHQGLHMMDLQEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-5-9-7(3)11(13)8(4)10(6-2)12(9)14/h14H,5-6H2,1-4H3.
What are the key properties of 4-chloro-2,6-diethyl-3,5-dimethylphenol?
4-chloro-2,6-diethyl-3,5-dimethylphenol has a molecular weight of 212.72 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-diethyl-3,5-dimethylphenol is sourced from PubChem (CID 175454218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).