2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol

C15H13BrF2O — CID 115822786

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2cc(F)cc(Br)c2)c1F
InChIInChI=1S/C15H13BrF2O/c1-9-3-2-4-13(15(9)18)14(19)7-10-5-11(16)8-12(17)6-10/h2-6,8,14,19H,7H2,1H3
InChIKeyPHHCKYBLJXGYBC-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.31
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol (PubChem CID 115822786) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
PubChem CID115822786
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2cc(F)cc(Br)c2)c1F
InChIInChI=1S/C15H13BrF2O/c1-9-3-2-4-13(15(9)18)14(19)7-10-5-11(16)8-12(17)6-10/h2-6,8,14,19H,7H2,1H3
InChIKeyPHHCKYBLJXGYBC-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115822817
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822735
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol
CID 79701389
2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol
CID 113453302
3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid
CID 79701593
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 105115570
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol
CID 79699012
[2-(3,5-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105413149

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol (CID 115822786) is 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol is Cc1cccc(C(O)Cc2cc(F)cc(Br)c2)c1F.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol?
The InChIKey is PHHCKYBLJXGYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-9-3-2-4-13(15(9)18)14(19)7-10-5-11(16)8-12(17)6-10/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol has a molecular weight of 327.17 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 115822786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).