3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol

C15H14BrFO2 — CID 103459440

IUPAC3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol
SMILESOC(Cc1cccc(F)c1Br)C(O)c1ccccc1
InChIInChI=1S/C15H14BrFO2/c16-14-11(7-4-8-12(14)17)9-13(18)15(19)10-5-2-1-3-6-10/h1-8,13,15,18-19H,9H2
InChIKeyVIASDVSNUBXUNS-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.23
Rot. Bonds4

About 3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol

3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol (PubChem CID 103459440) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol.

Molecular Properties

Compound Name3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol
PubChem CID103459440
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol
SMILESOC(Cc1cccc(F)c1Br)C(O)c1ccccc1
InChIInChI=1S/C15H14BrFO2/c16-14-11(7-4-8-12(14)17)9-13(18)15(19)10-5-2-1-3-6-10/h1-8,13,15,18-19H,9H2
InChIKeyVIASDVSNUBXUNS-UHFFFAOYSA-N
XLogP3.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-1-(2-bromo-3-fluorophenyl)-3-methyl-4-phenylbutan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol?
The IUPAC name of 3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol (CID 103459440) is 3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol.
What is the SMILES notation for 3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol?
The canonical SMILES for 3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol is OC(Cc1cccc(F)c1Br)C(O)c1ccccc1.
What is the InChIKey of 3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol?
The InChIKey is VIASDVSNUBXUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c16-14-11(7-4-8-12(14)17)9-13(18)15(19)10-5-2-1-3-6-10/h1-8,13,15,18-19H,9H2.
What are the key properties of 3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol?
3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol has a molecular weight of 325.18 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol is sourced from PubChem (CID 103459440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).