4-bromo-2-butan-2-yl-5-butylphenol

C14H21BrO — CID 118092244

IUPAC4-bromo-2-butan-2-yl-5-butylphenol
SMILESCCCCc1cc(O)c(C(C)CC)cc1Br
InChIInChI=1S/C14H21BrO/c1-4-6-7-11-8-14(16)12(9-13(11)15)10(3)5-2/h8-10,16H,4-7H2,1-3H3
InChIKeyLFRKLMOOCZGRDW-UHFFFAOYSA-N
MW285.22 g/mol
LogP5.01
Rot. Bonds5

About 4-bromo-2-butan-2-yl-5-butylphenol

4-bromo-2-butan-2-yl-5-butylphenol (PubChem CID 118092244) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-bromo-2-butan-2-yl-5-butylphenol.

Molecular Properties

Compound Name4-bromo-2-butan-2-yl-5-butylphenol
PubChem CID118092244
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name4-bromo-2-butan-2-yl-5-butylphenol
SMILESCCCCc1cc(O)c(C(C)CC)cc1Br
InChIInChI=1S/C14H21BrO/c1-4-6-7-11-8-14(16)12(9-13(11)15)10(3)5-2/h8-10,16H,4-7H2,1-3H3
InChIKeyLFRKLMOOCZGRDW-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.22
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-5-butyl-2-propylphenol
CID 118092192
5-butan-2-ylbenzene-1,2,4-triol
CID 22895392
2,6-di(butan-2-yl)-4-butylphenol
CID 66619822
5-butyl-4-chloro-2-propan-2-ylphenol
CID 118092137
3-bromo-4-butylphenol
CID 20571557
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
4,5-didecylbenzene-1,2-diol
CID 15667809
5-butyl-2,3,4-trimethylphenol
CID 150949737
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117435150
2-(3-aminopropyl)-4-bromo-5-propan-2-ylphenol
CID 117433020

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butan-2-yl-5-butylphenol?
The IUPAC name of 4-bromo-2-butan-2-yl-5-butylphenol (CID 118092244) is 4-bromo-2-butan-2-yl-5-butylphenol.
What is the SMILES notation for 4-bromo-2-butan-2-yl-5-butylphenol?
The canonical SMILES for 4-bromo-2-butan-2-yl-5-butylphenol is CCCCc1cc(O)c(C(C)CC)cc1Br.
What is the InChIKey of 4-bromo-2-butan-2-yl-5-butylphenol?
The InChIKey is LFRKLMOOCZGRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-4-6-7-11-8-14(16)12(9-13(11)15)10(3)5-2/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 4-bromo-2-butan-2-yl-5-butylphenol?
4-bromo-2-butan-2-yl-5-butylphenol has a molecular weight of 285.22 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butan-2-yl-5-butylphenol is sourced from PubChem (CID 118092244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).