1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol

C17H18BrFO — CID 65149860

IUPAC1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol
SMILESCC(CC(O)Cc1cc(F)ccc1Br)c1ccccc1
InChIInChI=1S/C17H18BrFO/c1-12(13-5-3-2-4-6-13)9-16(20)11-14-10-15(19)7-8-17(14)18/h2-8,10,12,16,20H,9,11H2,1H3
InChIKeyIRFYVGSPXNWZOB-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.69
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol

1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol (PubChem CID 65149860) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol
PubChem CID65149860
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol
SMILESCC(CC(O)Cc1cc(F)ccc1Br)c1ccccc1
InChIInChI=1S/C17H18BrFO/c1-12(13-5-3-2-4-6-13)9-16(20)11-14-10-15(19)7-8-17(14)18/h2-8,10,12,16,20H,9,11H2,1H3
InChIKeyIRFYVGSPXNWZOB-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
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1-(2-bromo-5-fluorophenyl)nonan-2-ol
CID 65149021
1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol
CID 65150014

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol (CID 65149860) is 1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol is CC(CC(O)Cc1cc(F)ccc1Br)c1ccccc1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol?
The InChIKey is IRFYVGSPXNWZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-12(13-5-3-2-4-6-13)9-16(20)11-14-10-15(19)7-8-17(14)18/h2-8,10,12,16,20H,9,11H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol?
1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol has a molecular weight of 337.23 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol is sourced from PubChem (CID 65149860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).