2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol

C18H20BrFO — CID 65151121

IUPAC2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccc(C(O)Cc2cc(Br)ccc2F)cc1
InChIInChI=1S/C18H20BrFO/c1-18(2,3)14-6-4-12(5-7-14)17(21)11-13-10-15(19)8-9-16(13)20/h4-10,17,21H,11H2,1-3H3
InChIKeyIRBKUYLHODOHTI-UHFFFAOYSA-N
MW351.26 g/mol
LogP5.16
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol

2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol (PubChem CID 65151121) has the molecular formula C18H20BrFO and a molecular weight of 351.26 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
PubChem CID65151121
Molecular FormulaC18H20BrFO
Molecular Weight351.26 g/mol
Exact Mass350.07
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccc(C(O)Cc2cc(Br)ccc2F)cc1
InChIInChI=1S/C18H20BrFO/c1-18(2,3)14-6-4-12(5-7-14)17(21)11-13-10-15(19)8-9-16(13)20/h4-10,17,21H,11H2,1-3H3
InChIKeyIRBKUYLHODOHTI-UHFFFAOYSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.26
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)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-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 115839730
1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 106695425
2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 55096088
2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980726
2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115784984
2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 65146068
2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148068
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol (CID 65151121) is 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol is CC(C)(C)c1ccc(C(O)Cc2cc(Br)ccc2F)cc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol?
The InChIKey is IRBKUYLHODOHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFO/c1-18(2,3)14-6-4-12(5-7-14)17(21)11-13-10-15(19)8-9-16(13)20/h4-10,17,21H,11H2,1-3H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol has a molecular weight of 351.26 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol is sourced from PubChem (CID 65151121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).