(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol

C17H19BrO3 — CID 102948566

IUPAC(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCCCOc1ccccc1
InChIInChI=1S/C17H19BrO3/c1-13(19)16-9-8-14(18)12-17(16)21-11-5-10-20-15-6-3-2-4-7-15/h2-4,6-9,12-13,19H,5,10-11H2,1H3/t13-/m1/s1
InChIKeyOORXCCRZFRWPJY-CYBMUJFWSA-N
MW351.24 g/mol
LogP4.35
Rot. Bonds7

About (1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol

(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol (PubChem CID 102948566) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol
PubChem CID102948566
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCCCOc1ccccc1
InChIInChI=1S/C17H19BrO3/c1-13(19)16-9-8-14(18)12-17(16)21-11-5-10-20-15-6-3-2-4-7-15/h2-4,6-9,12-13,19H,5,10-11H2,1H3/t13-/m1/s1
InChIKeyOORXCCRZFRWPJY-CYBMUJFWSA-N
XLogP4.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.35
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]ethanamine
CID 102946886
(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63365910
(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63366101
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1R)-1-[4-bromo-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102948849
(1S)-1-[4-bromo-2-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 102948973
1-[2-[2-(3-bromophenoxy)ethoxy]-4-methylphenyl]ethanol
CID 63650431
1-[4-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 102948521
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
CID 102948286
(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 78933528

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol (CID 102948566) is (1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol is C[C@@H](O)c1ccc(Br)cc1OCCCOc1ccccc1.
What is the InChIKey of (1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol?
The InChIKey is OORXCCRZFRWPJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-13(19)16-9-8-14(18)12-17(16)21-11-5-10-20-15-6-3-2-4-7-15/h2-4,6-9,12-13,19H,5,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol?
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol has a molecular weight of 351.24 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol is sourced from PubChem (CID 102948566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).