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

C15H13BrF2O2 — CID 115832698

IUPAC1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2cccc(F)c2Br)c1F
InChIInChI=1S/C15H13BrF2O2/c1-20-13-7-2-4-9(15(13)18)8-12(19)10-5-3-6-11(17)14(10)16/h2-7,12,19H,8H2,1H3
InChIKeyRXNGUCXPUQCPQB-UHFFFAOYSA-N
MW343.17 g/mol
LogP4.01
Rot. Bonds4

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

1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol (PubChem CID 115832698) has the molecular formula C15H13BrF2O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
PubChem CID115832698
Molecular FormulaC15H13BrF2O2
Molecular Weight343.17 g/mol
Exact Mass342.01
IUPAC Name1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2cccc(F)c2Br)c1F
InChIInChI=1S/C15H13BrF2O2/c1-20-13-7-2-4-9(15(13)18)8-12(19)10-5-3-6-11(17)14(10)16/h2-7,12,19H,8H2,1H3
InChIKeyRXNGUCXPUQCPQB-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

1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
CID 115826418
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832813
1-(2-bromo-3-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 107983842
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 63018085
2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115832675
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 106695530
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol (CID 115832698) is 1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol is COc1cccc(CC(O)c2cccc(F)c2Br)c1F.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The InChIKey is RXNGUCXPUQCPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O2/c1-20-13-7-2-4-9(15(13)18)8-12(19)10-5-3-6-11(17)14(10)16/h2-7,12,19H,8H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-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 1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 115832698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).