(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol

C15H14BrFO2 — CID 138485730

IUPAC(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol
SMILESO[C@@H](CBr)c1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C15H14BrFO2/c16-9-14(18)13-7-6-12(17)8-15(13)19-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10H2/t14-/m0/s1
InChIKeyHUKQBMNSNQMCDD-AWEZNQCLSA-N
MW325.18 g/mol
LogP3.83
Rot. Bonds5

About (1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol

(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol (PubChem CID 138485730) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is (1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol
PubChem CID138485730
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol
SMILESO[C@@H](CBr)c1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C15H14BrFO2/c16-9-14(18)13-7-6-12(17)8-15(13)19-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10H2/t14-/m0/s1
InChIKeyHUKQBMNSNQMCDD-AWEZNQCLSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

acetic acid;5-fluoro-2-[(1S)-1-hydroxyheptyl]phenol;(1S)-1-(4-fluoro-2-phenylmethoxyphenyl)heptan-1-ol
CID 160809883
1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol
CID 118142400
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 59964196
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol;ethane
CID 91382169
2-bromo-5-fluoro-3-phenylmethoxypyridine
CID 151293566
1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethanol
CID 11640220
CID 91468453
CID 91468453
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142

Frequently Asked Questions

What is the IUPAC name of (1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol?
The IUPAC name of (1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol (CID 138485730) is (1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol is O[C@@H](CBr)c1ccc(F)cc1OCc1ccccc1.
What is the InChIKey of (1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol?
The InChIKey is HUKQBMNSNQMCDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14BrFO2/c16-9-14(18)13-7-6-12(17)8-15(13)19-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10H2/t14-/m0/s1.
What are the key properties of (1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol?
(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol has a molecular weight of 325.18 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 138485730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).