2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol

C16H16BrFO3 — CID 65150727

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(Br)ccc2F)c(OC)c1
InChIInChI=1S/C16H16BrFO3/c1-20-12-4-5-13(16(9-12)21-2)15(19)8-10-7-11(17)3-6-14(10)18/h3-7,9,15,19H,8H2,1-2H3
InChIKeyYBFUYQYJIPTPTC-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.88
Rot. Bonds5

About 2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol

2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol (PubChem CID 65150727) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol
PubChem CID65150727
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(Br)ccc2F)c(OC)c1
InChIInChI=1S/C16H16BrFO3/c1-20-12-4-5-13(16(9-12)21-2)15(19)8-10-7-11(17)3-6-14(10)18/h3-7,9,15,19H,8H2,1-2H3
InChIKeyYBFUYQYJIPTPTC-UHFFFAOYSA-N
XLogP3.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994
1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053350
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
CID 115826418
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
[2-(5-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethyl]hydrazine
CID 105294959
1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831118
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol (CID 65150727) is 2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol is COc1ccc(C(O)Cc2cc(Br)ccc2F)c(OC)c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol?
The InChIKey is YBFUYQYJIPTPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-20-12-4-5-13(16(9-12)21-2)15(19)8-10-7-11(17)3-6-14(10)18/h3-7,9,15,19H,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol has a molecular weight of 355.20 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 65150727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).