1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol

C15H13BrF2O — CID 107983845

IUPAC1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
SMILESCc1cccc(C(O)Cc2ccc(F)cc2F)c1Br
InChIInChI=1S/C15H13BrF2O/c1-9-3-2-4-12(15(9)16)14(19)7-10-5-6-11(17)8-13(10)18/h2-6,8,14,19H,7H2,1H3
InChIKeyGYLHPRXJMRZDEW-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.31
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol

1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol (PubChem CID 107983845) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
PubChem CID107983845
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
SMILESCc1cccc(C(O)Cc2ccc(F)cc2F)c1Br
InChIInChI=1S/C15H13BrF2O/c1-9-3-2-4-12(15(9)16)14(19)7-10-5-6-11(17)8-13(10)18/h2-6,8,14,19H,7H2,1H3
InChIKeyGYLHPRXJMRZDEW-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 107982860
1-(2-bromo-3-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 107983842
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063
2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106879490
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346812
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
CID 107985833
(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
2-(4-chloro-2-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115839825
1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene
CID 81479380
1-(2,4-dibromophenyl)-2-(2,4-difluorophenyl)ethanol
CID 107947331
(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114024273
1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377688

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol (CID 107983845) is 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol is Cc1cccc(C(O)Cc2ccc(F)cc2F)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol?
The InChIKey is GYLHPRXJMRZDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-9-3-2-4-12(15(9)16)14(19)7-10-5-6-11(17)8-13(10)18/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol?
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol has a molecular weight of 327.17 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 107983845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).