4-bromo-5-butyl-2-propylphenol

C13H19BrO — CID 118092192

IUPAC4-bromo-5-butyl-2-propylphenol
SMILESCCCCc1cc(O)c(CCC)cc1Br
InChIInChI=1S/C13H19BrO/c1-3-5-7-10-9-13(15)11(6-4-2)8-12(10)14/h8-9,15H,3-7H2,1-2H3
InChIKeyHMGINAJJCPOGPT-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.45
Rot. Bonds5

About 4-bromo-5-butyl-2-propylphenol

4-bromo-5-butyl-2-propylphenol (PubChem CID 118092192) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-bromo-5-butyl-2-propylphenol.

Molecular Properties

Compound Name4-bromo-5-butyl-2-propylphenol
PubChem CID118092192
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name4-bromo-5-butyl-2-propylphenol
SMILESCCCCc1cc(O)c(CCC)cc1Br
InChIInChI=1S/C13H19BrO/c1-3-5-7-10-9-13(15)11(6-4-2)8-12(10)14/h8-9,15H,3-7H2,1-2H3
InChIKeyHMGINAJJCPOGPT-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
4-bromo-2-butan-2-yl-5-butylphenol
CID 118092244
4,6-dipropylbenzene-1,3-diol
CID 70496109
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
3-bromo-4-butylphenol
CID 20571557
4-butyl-6-chlorobenzene-1,3-diol
CID 23195020
4-butyl-2,5-dihydroxybenzaldehyde
CID 174681209
4,5-didecylbenzene-1,2-diol
CID 15667809
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
5-butyl-2,3,4-trimethylphenol
CID 150949737
2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol
CID 22954449
5-butyl-4-fluoro-2-methylphenol
CID 118092181

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-butyl-2-propylphenol?
The IUPAC name of 4-bromo-5-butyl-2-propylphenol (CID 118092192) is 4-bromo-5-butyl-2-propylphenol.
What is the SMILES notation for 4-bromo-5-butyl-2-propylphenol?
The canonical SMILES for 4-bromo-5-butyl-2-propylphenol is CCCCc1cc(O)c(CCC)cc1Br.
What is the InChIKey of 4-bromo-5-butyl-2-propylphenol?
The InChIKey is HMGINAJJCPOGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c1-3-5-7-10-9-13(15)11(6-4-2)8-12(10)14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 4-bromo-5-butyl-2-propylphenol?
4-bromo-5-butyl-2-propylphenol has a molecular weight of 271.20 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-butyl-2-propylphenol is sourced from PubChem (CID 118092192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).