2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol

C15H13BrF2O — CID 79702447

IUPAC2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrF2O/c1-9-4-12(17)2-3-14(9)15(19)7-10-5-11(16)8-13(18)6-10/h2-6,8,15,19H,7H2,1H3
InChIKeyMPYKAWHDRRFVHE-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.31
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 79702447) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
PubChem CID79702447
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrF2O/c1-9-4-12(17)2-3-14(9)15(19)7-10-5-11(16)8-13(18)6-10/h2-6,8,15,19H,7H2,1H3
InChIKeyMPYKAWHDRRFVHE-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

2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
2-(3-bromo-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115822817
2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol
CID 113453302
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 65150242
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol (CID 79702447) is 2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1C(O)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is MPYKAWHDRRFVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-9-4-12(17)2-3-14(9)15(19)7-10-5-11(16)8-13(18)6-10/h2-6,8,15,19H,7H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)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 2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 79702447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).