3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol

C16H16BrFO — CID 104846115

IUPAC3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(Cc1cc(Br)ccc1F)C(O)c1ccccc1
InChIInChI=1S/C16H16BrFO/c1-11(16(19)12-5-3-2-4-6-12)9-13-10-14(17)7-8-15(13)18/h2-8,10-11,16,19H,9H2,1H3
InChIKeyGRAJJHRJQLYLSD-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.50
Rot. Bonds4

About 3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol

3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol (PubChem CID 104846115) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
PubChem CID104846115
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(Cc1cc(Br)ccc1F)C(O)c1ccccc1
InChIInChI=1S/C16H16BrFO/c1-11(16(19)12-5-3-2-4-6-12)9-13-10-14(17)7-8-15(13)18/h2-8,10-11,16,19H,9H2,1H3
InChIKeyGRAJJHRJQLYLSD-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol (CID 104846115) is 3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol is CC(Cc1cc(Br)ccc1F)C(O)c1ccccc1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol?
The InChIKey is GRAJJHRJQLYLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-11(16(19)12-5-3-2-4-6-12)9-13-10-14(17)7-8-15(13)18/h2-8,10-11,16,19H,9H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol?
3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol has a molecular weight of 323.21 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 104846115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).