2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol

C15H14BrFO — CID 55135398

IUPAC2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1C(O)Cc1cccc(Br)c1
InChIInChI=1S/C15H14BrFO/c1-10-5-6-13(17)9-14(10)15(18)8-11-3-2-4-12(16)7-11/h2-7,9,15,18H,8H2,1H3
InChIKeyWHENZADCFGFMDG-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.17
Rot. Bonds3

About 2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol

2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 55135398) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
PubChem CID55135398
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1C(O)Cc1cccc(Br)c1
InChIInChI=1S/C15H14BrFO/c1-10-5-6-13(17)9-14(10)15(18)8-11-3-2-4-12(16)7-11/h2-7,9,15,18H,8H2,1H3
InChIKeyWHENZADCFGFMDG-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62387586
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607682
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018417
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
2-(3-bromophenyl)-1-(2-chlorophenyl)ethanol
CID 61029924
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62388239
1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
CID 63017169
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721739

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol (CID 55135398) is 2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1C(O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is WHENZADCFGFMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-10-5-6-13(17)9-14(10)15(18)8-11-3-2-4-12(16)7-11/h2-7,9,15,18H,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 309.18 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 55135398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).