3-benzyl-2-tert-butylphenol

C17H20O — CID 154096643

IUPAC3-benzyl-2-tert-butylphenol
SMILESCC(C)(C)c1c(O)cccc1Cc1ccccc1
InChIInChI=1S/C17H20O/c1-17(2,3)16-14(10-7-11-15(16)18)12-13-8-5-4-6-9-13/h4-11,18H,12H2,1-3H3
InChIKeyFJIOXKKXPKQBIT-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.28
Rot. Bonds2

About 3-benzyl-2-tert-butylphenol

3-benzyl-2-tert-butylphenol (PubChem CID 154096643) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-benzyl-2-tert-butylphenol.

Molecular Properties

Compound Name3-benzyl-2-tert-butylphenol
PubChem CID154096643
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name3-benzyl-2-tert-butylphenol
SMILESCC(C)(C)c1c(O)cccc1Cc1ccccc1
InChIInChI=1S/C17H20O/c1-17(2,3)16-14(10-7-11-15(16)18)12-13-8-5-4-6-9-13/h4-11,18H,12H2,1-3H3
InChIKeyFJIOXKKXPKQBIT-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzylphenol;ethane
CID 91068983
2-benzyl-4,5-ditert-butylphenol
CID 21430785
lithium;2-benzylphenol;hydride
CID 174706000
1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol
CID 173253910
1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene
CID 173254027
2-tert-butyl-3-nonylphenol
CID 150872346
(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol
CID 129364050
4-benzyl-5-methylbenzene-1,2-diol
CID 146645349
2-tert-butyl-3-(4-ethylhexyl)phenol
CID 141255133
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 159247184
N-(2-benzylphenyl)hydroxylamine
CID 3014197

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-tert-butylphenol?
The IUPAC name of 3-benzyl-2-tert-butylphenol (CID 154096643) is 3-benzyl-2-tert-butylphenol.
What is the SMILES notation for 3-benzyl-2-tert-butylphenol?
The canonical SMILES for 3-benzyl-2-tert-butylphenol is CC(C)(C)c1c(O)cccc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-tert-butylphenol?
The InChIKey is FJIOXKKXPKQBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-17(2,3)16-14(10-7-11-15(16)18)12-13-8-5-4-6-9-13/h4-11,18H,12H2,1-3H3.
What are the key properties of 3-benzyl-2-tert-butylphenol?
3-benzyl-2-tert-butylphenol has a molecular weight of 240.35 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-tert-butylphenol is sourced from PubChem (CID 154096643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).