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

C15H13BrClFO — CID 105377688

IUPAC1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1cccc(Br)c1Cl
InChIInChI=1S/C15H13BrClFO/c1-9-5-6-11(18)7-10(9)8-14(19)12-3-2-4-13(16)15(12)17/h2-7,14,19H,8H2,1H3
InChIKeyLHAHFLXYOGXSNE-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.83
Rot. Bonds3

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

1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 105377688) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID105377688
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1cccc(Br)c1Cl
InChIInChI=1S/C15H13BrClFO/c1-9-5-6-11(18)7-10(9)8-14(19)12-3-2-4-13(16)15(12)17/h2-7,14,19H,8H2,1H3
InChIKeyLHAHFLXYOGXSNE-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-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

1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 107103532
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115786915
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346812
2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol
CID 105377699
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
1-(4-chloro-2,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377673
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822735
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115787001
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol (CID 105377688) is 1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1CC(O)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is LHAHFLXYOGXSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-5-6-11(18)7-10(9)8-14(19)12-3-2-4-13(16)15(12)17/h2-7,14,19H,8H2,1H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 343.62 g/mol, XLogP of 4.83, 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-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 105377688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).