3-tert-butyl-2,6-dichlorophenol

C10H12Cl2O — CID 130033487

IUPAC3-tert-butyl-2,6-dichlorophenol
SMILESCC(C)(C)c1ccc(Cl)c(O)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-10(2,3)6-4-5-7(11)9(13)8(6)12/h4-5,13H,1-3H3
InChIKeyFVWUXXZTBRZIIC-UHFFFAOYSA-N
MW219.11 g/mol
LogP4.00
Rot. Bonds

About 3-tert-butyl-2,6-dichlorophenol

3-tert-butyl-2,6-dichlorophenol (PubChem CID 130033487) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 3-tert-butyl-2,6-dichlorophenol.

Molecular Properties

Compound Name3-tert-butyl-2,6-dichlorophenol
PubChem CID130033487
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name3-tert-butyl-2,6-dichlorophenol
SMILESCC(C)(C)c1ccc(Cl)c(O)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-10(2,3)6-4-5-7(11)9(13)8(6)12/h4-5,13H,1-3H3
InChIKeyFVWUXXZTBRZIIC-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,6-dichlorophenol?
The IUPAC name of 3-tert-butyl-2,6-dichlorophenol (CID 130033487) is 3-tert-butyl-2,6-dichlorophenol.
What is the SMILES notation for 3-tert-butyl-2,6-dichlorophenol?
The canonical SMILES for 3-tert-butyl-2,6-dichlorophenol is CC(C)(C)c1ccc(Cl)c(O)c1Cl.
What is the InChIKey of 3-tert-butyl-2,6-dichlorophenol?
The InChIKey is FVWUXXZTBRZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-10(2,3)6-4-5-7(11)9(13)8(6)12/h4-5,13H,1-3H3.
What are the key properties of 3-tert-butyl-2,6-dichlorophenol?
3-tert-butyl-2,6-dichlorophenol has a molecular weight of 219.11 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,6-dichlorophenol is sourced from PubChem (CID 130033487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).