1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol

C15H13BrClFO — CID 112653163

IUPAC1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(F)c2Cl)c(Br)c1
InChIInChI=1S/C15H13BrClFO/c1-9-5-6-11(12(16)7-9)14(19)8-10-3-2-4-13(18)15(10)17/h2-7,14,19H,8H2,1H3
InChIKeyWCNJAMUHTOFJJR-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.83
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol

1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol (PubChem CID 112653163) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
PubChem CID112653163
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(F)c2Cl)c(Br)c1
InChIInChI=1S/C15H13BrClFO/c1-9-5-6-11(12(16)7-9)14(19)8-10-3-2-4-13(18)15(10)17/h2-7,14,19H,8H2,1H3
InChIKeyWCNJAMUHTOFJJR-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-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)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-(2-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307604
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032435
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115826420
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
1-(3-bromo-5-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831119
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653147
1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831118
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039131
1-(2-bromo-5-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312495
1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 106859159
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol (CID 112653163) is 1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol is Cc1ccc(C(O)Cc2cccc(F)c2Cl)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The InChIKey is WCNJAMUHTOFJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-5-6-11(12(16)7-9)14(19)8-10-3-2-4-13(18)15(10)17/h2-7,14,19H,8H2,1H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)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-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 112653163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).