1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol

C17H19FO3 — CID 63366269

IUPAC1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
SMILESC[C@H](O)c1ccc(F)cc1OCC(C)(O)c1ccccc1
InChIInChI=1S/C17H19FO3/c1-12(19)15-9-8-14(18)10-16(15)21-11-17(2,20)13-6-4-3-5-7-13/h3-10,12,19-20H,11H2,1-2H3/t12-,17?/m0/s1
InChIKeyIGOOZTALAWLGFQ-WHUIICBVSA-N
MW290.33 g/mol
LogP3.17
Rot. Bonds5

About 1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol

1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol (PubChem CID 63366269) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
PubChem CID63366269
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
SMILESC[C@H](O)c1ccc(F)cc1OCC(C)(O)c1ccccc1
InChIInChI=1S/C17H19FO3/c1-12(19)15-9-8-14(18)10-16(15)21-11-17(2,20)13-6-4-3-5-7-13/h3-10,12,19-20H,11H2,1-2H3/t12-,17?/m0/s1
InChIKeyIGOOZTALAWLGFQ-WHUIICBVSA-N
XLogP3.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol
CID 63367980
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78931763
(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63366101
(1S)-1-[2-(2,2-difluoro-2-phenylethoxy)-4-fluorophenyl]ethanamine
CID 104893336
5-fluoro-2-(2-hydroxy-2-phenylpropoxy)benzaldehyde
CID 107697932
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512
1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
CID 78935976
1-[2-(1-hydroxypropyl)phenoxy]-2-phenylpropan-2-ol
CID 62374016
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
CID 78931116
1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 55147459
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
The IUPAC name of 1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol (CID 63366269) is 1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol is C[C@H](O)c1ccc(F)cc1OCC(C)(O)c1ccccc1.
What is the InChIKey of 1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
The InChIKey is IGOOZTALAWLGFQ-WHUIICBVSA-N. The full InChI is InChI=1S/C17H19FO3/c1-12(19)15-9-8-14(18)10-16(15)21-11-17(2,20)13-6-4-3-5-7-13/h3-10,12,19-20H,11H2,1-2H3/t12-,17?/m0/s1.
What are the key properties of 1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol has a molecular weight of 290.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol is sourced from PubChem (CID 63366269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).