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

C17H19FO3 — CID 63366101

IUPAC(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OCCCOc1ccccc1
InChIInChI=1S/C17H19FO3/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
InChIKeyUVGMRZKMLPOLSS-CYBMUJFWSA-N
MW290.33 g/mol
LogP3.73
Rot. Bonds7

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

(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol (PubChem CID 63366101) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
PubChem CID63366101
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OCCCOc1ccccc1
InChIInChI=1S/C17H19FO3/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
InChIKeyUVGMRZKMLPOLSS-CYBMUJFWSA-N
XLogP3.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.73
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
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63366184
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512
(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863621
1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 63366269
1-[4-fluoro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 63067681

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol (CID 63366101) is (1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol is C[C@@H](O)c1ccc(F)cc1OCCCOc1ccccc1.
What is the InChIKey of (1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol?
The InChIKey is UVGMRZKMLPOLSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19FO3/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-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol?
(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol has a molecular weight of 290.33 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol is sourced from PubChem (CID 63366101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).