1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol

C13H18BrFO — CID 82928590

IUPAC1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)c1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFO/c1-3-9(4-2)7-13(16)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,3-4,7H2,1-2H3
InChIKeyFGVKVAHXIPQYFT-UHFFFAOYSA-N
MW289.19 g/mol
LogP4.45
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol

1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol (PubChem CID 82928590) has the molecular formula C13H18BrFO and a molecular weight of 289.19 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol
PubChem CID82928590
Molecular FormulaC13H18BrFO
Molecular Weight289.19 g/mol
Exact Mass288.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)c1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFO/c1-3-9(4-2)7-13(16)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,3-4,7H2,1-2H3
InChIKeyFGVKVAHXIPQYFT-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
CID 82713520
1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
CID 115829693
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001577
3-ethyl-1-(2-fluorophenyl)pentan-1-ol
CID 82919842
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
[1-(4-bromo-2-fluorophenyl)-3-ethylheptyl]hydrazine
CID 105280875
[1-(5-bromo-2-fluorophenyl)-3-ethylpentyl]hydrazine
CID 105280759
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
2-(4-bromo-2-fluorophenyl)butanal
CID 130820553
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764
5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol
CID 81422605

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol (CID 82928590) is 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol is CCC(CC)CC(O)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol?
The InChIKey is FGVKVAHXIPQYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFO/c1-3-9(4-2)7-13(16)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol?
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol has a molecular weight of 289.19 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 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol is sourced from PubChem (CID 82928590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).