(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol

C15H23FO5 — CID 104564087

IUPAC(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
SMILESCOCCOCCOCCOc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C15H23FO5/c1-12(17)14-11-13(16)3-4-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12,17H,5-10H2,1-2H3/t12-/m0/s1
InChIKeyYNNVZWINYNYQOE-LBPRGKRZSA-N
MW302.34 g/mol
LogP1.94
Rot. Bonds11

About (1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol

(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol (PubChem CID 104564087) has the molecular formula C15H23FO5 and a molecular weight of 302.34 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
PubChem CID104564087
Molecular FormulaC15H23FO5
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
SMILESCOCCOCCOCCOc1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C15H23FO5/c1-12(17)14-11-13(16)3-4-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12,17H,5-10H2,1-2H3/t12-/m0/s1
InChIKeyYNNVZWINYNYQOE-LBPRGKRZSA-N
XLogP1.94
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol
CID 114525691
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
1-[4-fluoro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 63067681
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103177883

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol (CID 104564087) is (1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol is COCCOCCOCCOc1ccc(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol?
The InChIKey is YNNVZWINYNYQOE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23FO5/c1-12(17)14-11-13(16)3-4-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11-12,17H,5-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol?
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol has a molecular weight of 302.34 g/mol, XLogP of 1.94, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol is sourced from PubChem (CID 104564087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).