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

C16H16BrFO3 — CID 106645022

IUPAC1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cccc(Br)c2F)cc1OC
InChIInChI=1S/C16H16BrFO3/c1-20-14-7-6-10(9-15(14)21-2)8-13(19)11-4-3-5-12(17)16(11)18/h3-7,9,13,19H,8H2,1-2H3
InChIKeyWEHPMXXOQINESX-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.88
Rot. Bonds5

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

1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol (PubChem CID 106645022) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
PubChem CID106645022
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cccc(Br)c2F)cc1OC
InChIInChI=1S/C16H16BrFO3/c1-20-14-7-6-10(9-15(14)21-2)8-13(19)11-4-3-5-12(17)16(11)18/h3-7,9,13,19H,8H2,1-2H3
InChIKeyWEHPMXXOQINESX-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-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442
1-(3-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 107952546
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
1-(3-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 107954002
1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61087578
2-(4-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82807893
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 63893179
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
CID 62389072
1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol
CID 63942827
(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
CID 86730397

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol (CID 106645022) is 1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol is COc1ccc(CC(O)c2cccc(Br)c2F)cc1OC.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is WEHPMXXOQINESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-20-14-7-6-10(9-15(14)21-2)8-13(19)11-4-3-5-12(17)16(11)18/h3-7,9,13,19H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol?
1-(3-bromo-2-fluorophenyl)-2-(3,4-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 1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 106645022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).