1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol

C15H13BrF2O — CID 107538484

IUPAC1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H13BrF2O/c16-14-11(7-8-12(17)15(14)18)13(19)9-6-10-4-2-1-3-5-10/h1-5,7-8,13,19H,6,9H2
InChIKeyJBGCCTKSFMBOBW-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.39
Rot. Bonds4

About 1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol

1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol (PubChem CID 107538484) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol
PubChem CID107538484
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H13BrF2O/c16-14-11(7-8-12(17)15(14)18)13(19)9-6-10-4-2-1-3-5-10/h1-5,7-8,13,19H,6,9H2
InChIKeyJBGCCTKSFMBOBW-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol
CID 107538431
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028
1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol
CID 114978840
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 107538257
1-(2-iodophenyl)-3-phenylpropan-1-ol
CID 14918705
1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol
CID 64916015
1-(2-bromo-3,4-difluorophenyl)-2-(2-chlorophenyl)sulfanylethanol
CID 107540962
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 114978934
(2-bromo-3,4-difluorophenyl)-(2,3-difluorophenyl)methanol
CID 107538306

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol (CID 107538484) is 1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol is OC(CCc1ccccc1)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol?
The InChIKey is JBGCCTKSFMBOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c16-14-11(7-8-12(17)15(14)18)13(19)9-6-10-4-2-1-3-5-10/h1-5,7-8,13,19H,6,9H2.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol?
1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol has a molecular weight of 327.17 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 107538484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).