1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol

C15H13BrF2O — CID 106265334

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrF2O/c16-13-6-7-14(17)12(15(13)18)9-11(19)8-10-4-2-1-3-5-10/h1-7,11,19H,8-9H2
InChIKeyADBGNKACFYFTJR-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.87
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol

1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol (PubChem CID 106265334) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
PubChem CID106265334
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrF2O/c16-13-6-7-14(17)12(15(13)18)9-11(19)8-10-4-2-1-3-5-10/h1-7,11,19H,8-9H2
InChIKeyADBGNKACFYFTJR-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 106266420
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
1-(3-bromo-2,6-difluorophenyl)-4-phenylbutan-2-amine
CID 106267021
1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol
CID 106266545
1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol
CID 106274491
1-(3-bromo-2,6-difluorophenyl)-4-(4-methylphenyl)butan-2-ol
CID 106274397
1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931469
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene
CID 106273769

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol (CID 106265334) is 1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol is OC(Cc1ccccc1)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol?
The InChIKey is ADBGNKACFYFTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c16-13-6-7-14(17)12(15(13)18)9-11(19)8-10-4-2-1-3-5-10/h1-7,11,19H,8-9H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol has a molecular weight of 327.17 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol is sourced from PubChem (CID 106265334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).