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

C15H13BrF2O2 — CID 79702145

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(F)cc(Br)c2)cc1F
InChIInChI=1S/C15H13BrF2O2/c1-20-15-3-2-10(7-13(15)18)14(19)6-9-4-11(16)8-12(17)5-9/h2-5,7-8,14,19H,6H2,1H3
InChIKeyAHQIVGGCAXSNOG-UHFFFAOYSA-N
MW343.17 g/mol
LogP4.01
Rot. Bonds4

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

2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 79702145) has the molecular formula C15H13BrF2O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID79702145
Molecular FormulaC15H13BrF2O2
Molecular Weight343.17 g/mol
Exact Mass342.01
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(F)cc(Br)c2)cc1F
InChIInChI=1S/C15H13BrF2O2/c1-20-15-3-2-10(7-13(15)18)14(19)6-9-4-11(16)8-12(17)5-9/h2-5,7-8,14,19H,6H2,1H3
InChIKeyAHQIVGGCAXSNOG-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105324861
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol
CID 79699012
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
(1R)-1-(3-bromo-5-fluorophenyl)-2-(4-methoxy-3-methylphenyl)ethanol
CID 68626598
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 66425619
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101112
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 63035615

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol (CID 79702145) is 2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(O)Cc2cc(F)cc(Br)c2)cc1F.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is AHQIVGGCAXSNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O2/c1-20-15-3-2-10(7-13(15)18)14(19)6-9-4-11(16)8-12(17)5-9/h2-5,7-8,14,19H,6H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 343.17 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 79702145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).