1-(3-bromo-2-fluorophenyl)-2-phenylethanol

C14H12BrFO — CID 106644408

IUPAC1-(3-bromo-2-fluorophenyl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C14H12BrFO/c15-12-8-4-7-11(14(12)16)13(17)9-10-5-2-1-3-6-10/h1-8,13,17H,9H2
InChIKeyURCFXRBMCLMODH-UHFFFAOYSA-N
MW295.15 g/mol
LogP3.86
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-2-phenylethanol

1-(3-bromo-2-fluorophenyl)-2-phenylethanol (PubChem CID 106644408) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-phenylethanol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-phenylethanol
PubChem CID106644408
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C14H12BrFO/c15-12-8-4-7-11(14(12)16)13(17)9-10-5-2-1-3-6-10/h1-8,13,17H,9H2
InChIKeyURCFXRBMCLMODH-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 107954002
1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol
CID 106645019
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063
1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 106645022
1-(3-bromo-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 107953993
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020683
1-(3-bromo-2-fluorophenyl)-2-ethylsulfanylethanol
CID 106645068
(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
CID 86333738

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-phenylethanol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-phenylethanol (CID 106644408) is 1-(3-bromo-2-fluorophenyl)-2-phenylethanol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-phenylethanol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-phenylethanol is OC(Cc1ccccc1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-phenylethanol?
The InChIKey is URCFXRBMCLMODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c15-12-8-4-7-11(14(12)16)13(17)9-10-5-2-1-3-6-10/h1-8,13,17H,9H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-phenylethanol?
1-(3-bromo-2-fluorophenyl)-2-phenylethanol has a molecular weight of 295.15 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-phenylethanol is sourced from PubChem (CID 106644408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).