4-tert-butyl-3-chloro-5-methylphenol

C11H15ClO — CID 166610575

IUPAC4-tert-butyl-3-chloro-5-methylphenol
SMILESCc1cc(O)cc(Cl)c1C(C)(C)C
InChIInChI=1S/C11H15ClO/c1-7-5-8(13)6-9(12)10(7)11(2,3)4/h5-6,13H,1-4H3
InChIKeyYLZOYVCZUJRKNS-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.65
Rot. Bonds

About 4-tert-butyl-3-chloro-5-methylphenol

4-tert-butyl-3-chloro-5-methylphenol (PubChem CID 166610575) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 4-tert-butyl-3-chloro-5-methylphenol.

Molecular Properties

Compound Name4-tert-butyl-3-chloro-5-methylphenol
PubChem CID166610575
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name4-tert-butyl-3-chloro-5-methylphenol
SMILESCc1cc(O)cc(Cl)c1C(C)(C)C
InChIInChI=1S/C11H15ClO/c1-7-5-8(13)6-9(12)10(7)11(2,3)4/h5-6,13H,1-4H3
InChIKeyYLZOYVCZUJRKNS-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-chloro-5-methylphenol?
The IUPAC name of 4-tert-butyl-3-chloro-5-methylphenol (CID 166610575) is 4-tert-butyl-3-chloro-5-methylphenol.
What is the SMILES notation for 4-tert-butyl-3-chloro-5-methylphenol?
The canonical SMILES for 4-tert-butyl-3-chloro-5-methylphenol is Cc1cc(O)cc(Cl)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-chloro-5-methylphenol?
The InChIKey is YLZOYVCZUJRKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-7-5-8(13)6-9(12)10(7)11(2,3)4/h5-6,13H,1-4H3.
What are the key properties of 4-tert-butyl-3-chloro-5-methylphenol?
4-tert-butyl-3-chloro-5-methylphenol has a molecular weight of 198.69 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-chloro-5-methylphenol is sourced from PubChem (CID 166610575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).