(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol

C13H19FO3 — CID 63366184

IUPAC(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
SMILESCC(C)OCCOc1cc(F)ccc1[C@H](C)O
InChIInChI=1S/C13H19FO3/c1-9(2)16-6-7-17-13-8-11(14)4-5-12(13)10(3)15/h4-5,8-10,15H,6-7H2,1-3H3/t10-/m0/s1
InChIKeySQPGOGPNFFAJIL-JTQLQIEISA-N
MW242.29 g/mol
LogP2.68
Rot. Bonds6

About (1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol

(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol (PubChem CID 63366184) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is (1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
PubChem CID63366184
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
SMILESCC(C)OCCOc1cc(F)ccc1[C@H](C)O
InChIInChI=1S/C13H19FO3/c1-9(2)16-6-7-17-13-8-11(14)4-5-12(13)10(3)15/h4-5,8-10,15H,6-7H2,1-3H3/t10-/m0/s1
InChIKeySQPGOGPNFFAJIL-JTQLQIEISA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.68
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-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
1-[4-fluoro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 63067681
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014
(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863621
(1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol
CID 78932553
(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63366101
(1S)-1-(4-fluoro-2-pent-3-ynoxyphenyl)ethanol
CID 104808272
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
(1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol
CID 63365914

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol (CID 63366184) is (1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol is CC(C)OCCOc1cc(F)ccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol?
The InChIKey is SQPGOGPNFFAJIL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19FO3/c1-9(2)16-6-7-17-13-8-11(14)4-5-12(13)10(3)15/h4-5,8-10,15H,6-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol?
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol has a molecular weight of 242.29 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol is sourced from PubChem (CID 63366184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).