2-tert-butyl-4-methyl-6-phenylphenol

C17H20O — CID 14315744

IUPAC2-tert-butyl-4-methyl-6-phenylphenol
SMILESCc1cc(-c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H20O/c1-12-10-14(13-8-6-5-7-9-13)16(18)15(11-12)17(2,3)4/h5-11,18H,1-4H3
InChIKeyGBSGMZFLJRWALS-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.67
Rot. Bonds1

About 2-tert-butyl-4-methyl-6-phenylphenol

2-tert-butyl-4-methyl-6-phenylphenol (PubChem CID 14315744) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-phenylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-phenylphenol
PubChem CID14315744
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2-tert-butyl-4-methyl-6-phenylphenol
SMILESCc1cc(-c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H20O/c1-12-10-14(13-8-6-5-7-9-13)16(18)15(11-12)17(2,3)4/h5-11,18H,1-4H3
InChIKeyGBSGMZFLJRWALS-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-phenylphenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-phenylphenol (CID 14315744) is 2-tert-butyl-4-methyl-6-phenylphenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-phenylphenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-phenylphenol is Cc1cc(-c2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methyl-6-phenylphenol?
The InChIKey is GBSGMZFLJRWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-12-10-14(13-8-6-5-7-9-13)16(18)15(11-12)17(2,3)4/h5-11,18H,1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-6-phenylphenol?
2-tert-butyl-4-methyl-6-phenylphenol has a molecular weight of 240.35 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-phenylphenol is sourced from PubChem (CID 14315744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).