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

C18H20BrFO — CID 115786608

IUPAC1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccc(CC(O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C18H20BrFO/c1-18(2,3)13-6-4-12(5-7-13)10-17(21)15-9-8-14(20)11-16(15)19/h4-9,11,17,21H,10H2,1-3H3
InChIKeyCYMRSLTUIYRTET-UHFFFAOYSA-N
MW351.26 g/mol
LogP5.16
Rot. Bonds3

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

1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol (PubChem CID 115786608) has the molecular formula C18H20BrFO and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
PubChem CID115786608
Molecular FormulaC18H20BrFO
Molecular Weight351.26 g/mol
Exact Mass350.07
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccc(CC(O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C18H20BrFO/c1-18(2,3)13-6-4-12(5-7-13)10-17(21)15-9-8-14(20)11-16(15)19/h4-9,11,17,21H,10H2,1-3H3
InChIKeyCYMRSLTUIYRTET-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 1-(2-bromo-4-fluorophenyl)-2-(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-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 65150242
1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788296
2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 63411155
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
1-(3-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 107954002
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
2-bromo-1-[bromo-(4-tert-butylphenyl)methyl]-4-fluorobenzene
CID 63440057
2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene
CID 63531747
(1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol
CID 103920530
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
CID 81473232
1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780374

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol (CID 115786608) is 1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol is CC(C)(C)c1ccc(CC(O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol?
The InChIKey is CYMRSLTUIYRTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFO/c1-18(2,3)13-6-4-12(5-7-13)10-17(21)15-9-8-14(20)11-16(15)19/h4-9,11,17,21H,10H2,1-3H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol?
1-(2-bromo-4-fluorophenyl)-2-(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 1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol is sourced from PubChem (CID 115786608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).