1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol

C16H16BrFO — CID 114885678

IUPAC1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2c(F)cccc2Br)cc1
InChIInChI=1S/C16H16BrFO/c1-2-11-6-8-12(9-7-11)10-15(19)16-13(17)4-3-5-14(16)18/h3-9,15,19H,2,10H2,1H3
InChIKeyLPJUWHVKJJRSCZ-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.43
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol

1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol (PubChem CID 114885678) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
PubChem CID114885678
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2c(F)cccc2Br)cc1
InChIInChI=1S/C16H16BrFO/c1-2-11-6-8-12(9-7-11)10-15(19)16-13(17)4-3-5-14(16)18/h3-9,15,19H,2,10H2,1H3
InChIKeyLPJUWHVKJJRSCZ-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
CID 114885640
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348
1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
CID 114885556
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103048373
1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
CID 114885627
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
1-(2-bromo-6-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857500
2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885790
1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 114885667
(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile
CID 131172063

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol (CID 114885678) is 1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)c2c(F)cccc2Br)cc1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol?
The InChIKey is LPJUWHVKJJRSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-2-11-6-8-12(9-7-11)10-15(19)16-13(17)4-3-5-14(16)18/h3-9,15,19H,2,10H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol?
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol has a molecular weight of 323.21 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 114885678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).