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

C13H18BrFO — CID 65148579

IUPAC1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFO/c1-3-9(4-2)13(16)7-10-5-6-11(14)8-12(10)15/h5-6,8-9,13,16H,3-4,7H2,1-2H3
InChIKeyPJHHGRFXJUPOTC-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.93
Rot. Bonds5

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

1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol (PubChem CID 65148579) 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-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol
PubChem CID65148579
Molecular FormulaC13H18BrFO
Molecular Weight289.19 g/mol
Exact Mass288.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFO/c1-3-9(4-2)13(16)7-10-5-6-11(14)8-12(10)15/h5-6,8-9,13,16H,3-4,7H2,1-2H3
InChIKeyPJHHGRFXJUPOTC-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol
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1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
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3-(4-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
CID 79495756
3-[(4-bromo-2-fluorophenyl)methyl]pentan-2-amine
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2-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 55082719
N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine
CID 63842766
1-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
1-(4-bromo-2-fluorophenyl)pent-4-en-2-ol
CID 116659912
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
CID 62608623

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol (CID 65148579) is 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol is CCC(CC)C(O)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol?
The InChIKey is PJHHGRFXJUPOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFO/c1-3-9(4-2)13(16)7-10-5-6-11(14)8-12(10)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-2-ol?
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol has a molecular weight of 289.19 g/mol, XLogP of 3.93, 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-2-ol is sourced from PubChem (CID 65148579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).