(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol

C16H17BrO3 — CID 63365910

IUPAC(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Br)ccc1OCCOc1ccccc1
InChIInChI=1S/C16H17BrO3/c1-12(18)15-11-13(17)7-8-16(15)20-10-9-19-14-5-3-2-4-6-14/h2-8,11-12,18H,9-10H2,1H3/t12-/m1/s1
InChIKeyAJQOUTKSTAMCQU-GFCCVEGCSA-N
MW337.21 g/mol
LogP3.96
Rot. Bonds6

About (1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol

(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol (PubChem CID 63365910) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
PubChem CID63365910
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Br)ccc1OCCOc1ccccc1
InChIInChI=1S/C16H17BrO3/c1-12(18)15-11-13(17)7-8-16(15)20-10-9-19-14-5-3-2-4-6-14/h2-8,11-12,18H,9-10H2,1H3/t12-/m1/s1
InChIKeyAJQOUTKSTAMCQU-GFCCVEGCSA-N
XLogP3.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol
CID 102948566
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanol
CID 104893887
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
(1S)-1-[2-[2-(3-bromophenoxy)ethoxy]-5-methylphenyl]ethanol
CID 78933736
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
1-[5-bromo-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 62379196
1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113258
(1R)-1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81114812
1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 62937479
(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 78933528

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol (CID 63365910) is (1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol is C[C@@H](O)c1cc(Br)ccc1OCCOc1ccccc1.
What is the InChIKey of (1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol?
The InChIKey is AJQOUTKSTAMCQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-12(18)15-11-13(17)7-8-16(15)20-10-9-19-14-5-3-2-4-6-14/h2-8,11-12,18H,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol?
(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol has a molecular weight of 337.21 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 63365910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).