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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Related Compounds

2,3,4,5-tetrachloro-6-ethylphenol
CID 18953189
sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol
CID 18362565
3-ethyl-5,6-dimethylbenzene-1,2,4-triol
CID 130033537
2-chloro-3-ethyl-4,5,6-trifluorophenol
CID 166765191
6-chloro-2-ethyl-3-methylphenol
CID 123495023
2,6-diethyl-3,5-dimethyl-4-propan-2-yloxyphenol
CID 162375100
3,5-dichloro-2-ethyl-4,6-dihydroxybenzaldehyde
CID 89435884
ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
CID 15720288
1-chloro-2-ethyl-3,5,6-trifluoro-4-methylbenzene
CID 166765212
1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene
CID 167152424
6-amino-2,4-dichloro-3-ethylphenol
CID 11769652
chloroethane;2,3,4,5,6-pentachlorophenol
CID 88595437

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).