2-bromo-4-tert-butyl-6-ethylphenol

C12H17BrO — CID 12857381

IUPAC2-bromo-4-tert-butyl-6-ethylphenol
SMILESCCc1cc(C(C)(C)C)cc(Br)c1O
InChIInChI=1S/C12H17BrO/c1-5-8-6-9(12(2,3)4)7-10(13)11(8)14/h6-7,14H,5H2,1-4H3
InChIKeyKDTCGMFJDDLIBH-UHFFFAOYSA-N
MW257.17 g/mol
LogP4.01
Rot. Bonds1

About 2-bromo-4-tert-butyl-6-ethylphenol

2-bromo-4-tert-butyl-6-ethylphenol (PubChem CID 12857381) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-6-ethylphenol.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-6-ethylphenol
PubChem CID12857381
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name2-bromo-4-tert-butyl-6-ethylphenol
SMILESCCc1cc(C(C)(C)C)cc(Br)c1O
InChIInChI=1S/C12H17BrO/c1-5-8-6-9(12(2,3)4)7-10(13)11(8)14/h6-7,14H,5H2,1-4H3
InChIKeyKDTCGMFJDDLIBH-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane
CID 161440425
4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol
CID 177492098
CID 158661910
CID 158661910
4-tert-butyl-2-ethyl-6-methanimidoylphenol
CID 145026368
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373
1-amino-1-(3-bromo-5-tert-butyl-2-hydroxyphenyl)pentan-3-one
CID 130349935
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-tert-butylphenol
CID 66515741
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;bis(guanidine)
CID 6454101
2-bromo-4-tert-butyl-6-nitrophenol acetate
CID 170453400
2,6-diethyl-4-(2-methylheptan-2-yl)phenol
CID 91497422
2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride
CID 170889153
N-(4-tert-butyl-2,6-diethylphenyl)acetamide
CID 517593

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-6-ethylphenol?
The IUPAC name of 2-bromo-4-tert-butyl-6-ethylphenol (CID 12857381) is 2-bromo-4-tert-butyl-6-ethylphenol.
What is the SMILES notation for 2-bromo-4-tert-butyl-6-ethylphenol?
The canonical SMILES for 2-bromo-4-tert-butyl-6-ethylphenol is CCc1cc(C(C)(C)C)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-tert-butyl-6-ethylphenol?
The InChIKey is KDTCGMFJDDLIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-5-8-6-9(12(2,3)4)7-10(13)11(8)14/h6-7,14H,5H2,1-4H3.
What are the key properties of 2-bromo-4-tert-butyl-6-ethylphenol?
2-bromo-4-tert-butyl-6-ethylphenol has a molecular weight of 257.17 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-6-ethylphenol is sourced from PubChem (CID 12857381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).