4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol

C13H17BrO — CID 89029788

IUPAC4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(Br)cc(C(C)(C)C)c1O
InChIInChI=1S/C13H17BrO/c1-8(2)10-6-9(14)7-11(12(10)15)13(3,4)5/h6-7,15H,1H2,2-5H3
InChIKeyPEERCECUROPFCY-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.49
Rot. Bonds1

About 4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol

4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol (PubChem CID 89029788) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol
PubChem CID89029788
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(Br)cc(C(C)(C)C)c1O
InChIInChI=1S/C13H17BrO/c1-8(2)10-6-9(14)7-11(12(10)15)13(3,4)5/h6-7,15H,1H2,2-5H3
InChIKeyPEERCECUROPFCY-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol
CID 88575602
2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid
CID 117463139
2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
CID 143396007
2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol
CID 155238236
5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol
CID 70143761
4-bromo-2-tert-butyl-6-(4-phenyldiazenylbenzenecarboximidoyl)phenol
CID 135580718
6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)propanoate
CID 88894568
2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol
CID 89220492
2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol
CID 2129750
1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene
CID 140978129
1-[5-bromo-2-hydroxy-3-(1-hydroxyethenyl)phenyl]ethanone
CID 89085878
2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol
CID 117483916

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol?
The IUPAC name of 4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol (CID 89029788) is 4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol.
What is the SMILES notation for 4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol?
The canonical SMILES for 4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol is C=C(C)c1cc(Br)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol?
The InChIKey is PEERCECUROPFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-8(2)10-6-9(14)7-11(12(10)15)13(3,4)5/h6-7,15H,1H2,2-5H3.
What are the key properties of 4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol?
4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol has a molecular weight of 269.18 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol is sourced from PubChem (CID 89029788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).