2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol

C15H13BrF2O — CID 105402450

IUPAC2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cc(F)cc(F)c1)c1ccccc1Br
InChIInChI=1S/C15H13BrF2O/c1-15(19,13-4-2-3-5-14(13)16)9-10-6-11(17)8-12(18)7-10/h2-8,19H,9H2,1H3
InChIKeyLLLUSKFHYJCHBO-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.18
Rot. Bonds3

About 2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol

2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol (PubChem CID 105402450) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol
PubChem CID105402450
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cc(F)cc(F)c1)c1ccccc1Br
InChIInChI=1S/C15H13BrF2O/c1-15(19,13-4-2-3-5-14(13)16)9-10-6-11(17)8-12(18)7-10/h2-8,19H,9H2,1H3
InChIKeyLLLUSKFHYJCHBO-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)-2-(2-methylphenyl)propan-2-ol
CID 105402437
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 105402442
1-(2-bromo-5-fluorophenyl)-2-(2-bromophenyl)propan-2-ol
CID 65144862
2-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145345
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol
CID 102856814
2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol
CID 106866065
1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
CID 105402436
2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
1-bromo-3-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-5-fluorobenzene
CID 79698481
1-(2-bromophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79690330
1-(2-bromophenyl)-1-(4-fluorophenyl)ethanol
CID 60795081

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol?
The IUPAC name of 2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol (CID 105402450) is 2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol?
The canonical SMILES for 2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol is CC(O)(Cc1cc(F)cc(F)c1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol?
The InChIKey is LLLUSKFHYJCHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-15(19,13-4-2-3-5-14(13)16)9-10-6-11(17)8-12(18)7-10/h2-8,19H,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol?
2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol has a molecular weight of 327.17 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol is sourced from PubChem (CID 105402450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).