2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol

C16H16BrFO3 — CID 65148243

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)Cc2ccc(F)cc2Br)c1
InChIInChI=1S/C16H16BrFO3/c1-20-13-5-11(6-14(9-13)21-2)16(19)7-10-3-4-12(18)8-15(10)17/h3-6,8-9,16,19H,7H2,1-2H3
InChIKeyNNJNPHXNKKADNF-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.88
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol

2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol (PubChem CID 65148243) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
PubChem CID65148243
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)Cc2ccc(F)cc2Br)c1
InChIInChI=1S/C16H16BrFO3/c1-20-13-5-11(6-14(9-13)21-2)16(19)7-10-3-4-12(18)8-15(10)17/h3-6,8-9,16,19H,7H2,1-2H3
InChIKeyNNJNPHXNKKADNF-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-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 63894517
2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol
CID 65146024
1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 63016216
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
CID 65148185
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol
CID 115786724
2-(2-chloro-4-fluorophenyl)-1-(3-methoxyphenyl)ethanol
CID 62607563
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
CID 82684547
2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanol
CID 62607396
2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105087909
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 65149599

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol (CID 65148243) is 2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol is COc1cc(OC)cc(C(O)Cc2ccc(F)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
The InChIKey is NNJNPHXNKKADNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-20-13-5-11(6-14(9-13)21-2)16(19)7-10-3-4-12(18)8-15(10)17/h3-6,8-9,16,19H,7H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
2-(2-bromo-4-fluorophenyl)-1-(3,5-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-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 65148243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).