2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol

C16H16BrFO — CID 65148185

IUPAC2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2ccc(F)cc2Br)c(C)c1
InChIInChI=1S/C16H16BrFO/c1-10-3-6-14(11(2)7-10)16(19)8-12-4-5-13(18)9-15(12)17/h3-7,9,16,19H,8H2,1-2H3
InChIKeyNRGGDDHUJYRXPK-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.48
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol

2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol (PubChem CID 65148185) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
PubChem CID65148185
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2ccc(F)cc2Br)c(C)c1
InChIInChI=1S/C16H16BrFO/c1-10-3-6-14(11(2)7-10)16(19)8-12-4-5-13(18)9-15(12)17/h3-7,9,16,19H,8H2,1-2H3
InChIKeyNRGGDDHUJYRXPK-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115787001
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
CID 82684547
2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346812
2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 65148243
1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene
CID 63438862
2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724
2-(2-bromo-4-fluorophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115786975
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115786915
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol (CID 65148185) is 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol is Cc1ccc(C(O)Cc2ccc(F)cc2Br)c(C)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol?
The InChIKey is NRGGDDHUJYRXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-10-3-6-14(11(2)7-10)16(19)8-12-4-5-13(18)9-15(12)17/h3-7,9,16,19H,8H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol?
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol has a molecular weight of 323.21 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 65148185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).