4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol

C15H24O — CID 142267166

IUPAC4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol
SMILESCc1cc(C(C)(C)C)c(CC(C)C)cc1O
InChIInChI=1S/C15H24O/c1-10(2)7-12-9-14(16)11(3)8-13(12)15(4,5)6/h8-10,16H,7H2,1-6H3
InChIKeyLCHBVBOCWDZLCO-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.20
Rot. Bonds2

About 4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol

4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol (PubChem CID 142267166) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol
PubChem CID142267166
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol
SMILESCc1cc(C(C)(C)C)c(CC(C)C)cc1O
InChIInChI=1S/C15H24O/c1-10(2)7-12-9-14(16)11(3)8-13(12)15(4,5)6/h8-10,16H,7H2,1-6H3
InChIKeyLCHBVBOCWDZLCO-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol?
The IUPAC name of 4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol (CID 142267166) is 4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol.
What is the SMILES notation for 4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol?
The canonical SMILES for 4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol is Cc1cc(C(C)(C)C)c(CC(C)C)cc1O.
What is the InChIKey of 4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol?
The InChIKey is LCHBVBOCWDZLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)7-12-9-14(16)11(3)8-13(12)15(4,5)6/h8-10,16H,7H2,1-6H3.
What are the key properties of 4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol?
4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol has a molecular weight of 220.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol is sourced from PubChem (CID 142267166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).