2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol

C16H16BrFO2 — CID 79448193

IUPAC2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol
SMILESOCC(CO)(Cc1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C16H16BrFO2/c17-15-4-2-1-3-14(15)16(10-19,11-20)9-12-5-7-13(18)8-6-12/h1-8,19-20H,9-11H2
InChIKeyWLPTZTDFLHTZGY-UHFFFAOYSA-N
MW339.20 g/mol
LogP3.05
Rot. Bonds5

About 2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol

2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol (PubChem CID 79448193) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol
PubChem CID79448193
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol
SMILESOCC(CO)(Cc1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C16H16BrFO2/c17-15-4-2-1-3-14(15)16(10-19,11-20)9-12-5-7-13(18)8-6-12/h1-8,19-20H,9-11H2
InChIKeyWLPTZTDFLHTZGY-UHFFFAOYSA-N
XLogP3.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol
CID 107310880
1-bromo-3-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-5-fluorobenzene
CID 79698481
2-(2-bromophenyl)-2,2-difluoroethanol
CID 91926417
1-(2-bromophenyl)-1-(4-fluorophenyl)ethanol
CID 60795081
2-[(3-bromophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79450772
2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450494
2-[(3,4-dimethylphenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79445475
1-(2-bromo-5-fluorophenyl)-2-(2-bromophenyl)propan-2-ol
CID 65144862
2-(aminomethyl)-3-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507264
2-(2-bromophenyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diol
CID 79445713
2-[(3-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79448268
2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol
CID 105402450

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol?
The IUPAC name of 2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol (CID 79448193) is 2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol?
The canonical SMILES for 2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol is OCC(CO)(Cc1ccc(F)cc1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol?
The InChIKey is WLPTZTDFLHTZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c17-15-4-2-1-3-14(15)16(10-19,11-20)9-12-5-7-13(18)8-6-12/h1-8,19-20H,9-11H2.
What are the key properties of 2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol?
2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol has a molecular weight of 339.20 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol is sourced from PubChem (CID 79448193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).