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

C16H16BrFO — CID 55095424

IUPAC1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFO/c17-14-7-9-16(18)13(10-14)11-15(19)8-6-12-4-2-1-3-5-12/h1-5,7,9-10,15,19H,6,8,11H2
InChIKeyAPOZALGKTFAXLU-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.12
Rot. Bonds5

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

1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol (PubChem CID 55095424) has the molecular formula C16H16BrFO and a molecular weight of 323.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol
PubChem CID55095424
Molecular FormulaC16H16BrFO
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFO/c17-14-7-9-16(18)13(10-14)11-15(19)8-6-12-4-2-1-3-5-12/h1-5,7,9-10,15,19H,6,8,11H2
InChIKeyAPOZALGKTFAXLU-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol
CID 103053443
1-(3-bromo-5-fluorophenyl)-4-phenylbutan-2-ol
CID 79701342
1-(5-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105131693
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol
CID 55096280
3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 104846115
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
CID 55095032
1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 103053358
1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
CID 79742290
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol
CID 115601604
2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037391

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol (CID 55095424) is 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol is OC(CCc1ccccc1)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol?
The InChIKey is APOZALGKTFAXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c17-14-7-9-16(18)13(10-14)11-15(19)8-6-12-4-2-1-3-5-12/h1-5,7,9-10,15,19H,6,8,11H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol?
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol has a molecular weight of 323.20 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol is sourced from PubChem (CID 55095424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).