3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol

C12H16BrFO — CID 79709487

IUPAC3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
SMILESCCC(Cc1cc(F)cc(Br)c1)C(C)O
InChIInChI=1S/C12H16BrFO/c1-3-10(8(2)15)4-9-5-11(13)7-12(14)6-9/h5-8,10,15H,3-4H2,1-2H3
InChIKeyNSWVBQBFOYKOPS-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.54
Rot. Bonds4

About 3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol

3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol (PubChem CID 79709487) has the molecular formula C12H16BrFO and a molecular weight of 275.16 g/mol. Its IUPAC name is 3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol.

Molecular Properties

Compound Name3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
PubChem CID79709487
Molecular FormulaC12H16BrFO
Molecular Weight275.16 g/mol
Exact Mass274.04
IUPAC Name3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
SMILESCCC(Cc1cc(F)cc(Br)c1)C(C)O
InChIInChI=1S/C12H16BrFO/c1-3-10(8(2)15)4-9-5-11(13)7-12(14)6-9/h5-8,10,15H,3-4H2,1-2H3
InChIKeyNSWVBQBFOYKOPS-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol
CID 115822808
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79702695
1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 105015533
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 79708448
methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate
CID 79701348
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
2-(3-bromo-5-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115822702

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol?
The IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol (CID 79709487) is 3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol.
What is the SMILES notation for 3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol?
The canonical SMILES for 3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol is CCC(Cc1cc(F)cc(Br)c1)C(C)O.
What is the InChIKey of 3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol?
The InChIKey is NSWVBQBFOYKOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO/c1-3-10(8(2)15)4-9-5-11(13)7-12(14)6-9/h5-8,10,15H,3-4H2,1-2H3.
What are the key properties of 3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol?
3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol has a molecular weight of 275.16 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol is sourced from PubChem (CID 79709487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).