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

C15H13BrClFO — CID 115839758

IUPAC1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
SMILESCc1c(Br)cccc1C(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H13BrClFO/c1-9-12(3-2-4-13(9)16)15(19)7-10-5-6-11(17)8-14(10)18/h2-6,8,15,19H,7H2,1H3
InChIKeyNGSZOENEEIYBKL-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.83
Rot. Bonds3

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

1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol (PubChem CID 115839758) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
PubChem CID115839758
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
SMILESCc1c(Br)cccc1C(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H13BrClFO/c1-9-12(3-2-4-13(9)16)15(19)7-10-5-6-11(17)8-14(10)18/h2-6,8,15,19H,7H2,1H3
InChIKeyNGSZOENEEIYBKL-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

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Related Compounds

[1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105342764
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 105055263
2-(4-chloro-2-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115839825
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103323
2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115839731
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 106274418
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063
1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol
CID 166094959

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol (CID 115839758) is 1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol is Cc1c(Br)cccc1C(O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol?
The InChIKey is NGSZOENEEIYBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-12(3-2-4-13(9)16)15(19)7-10-5-6-11(17)8-14(10)18/h2-6,8,15,19H,7H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol?
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-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-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 115839758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).