(1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol

C17H19FO3 — CID 78938709

IUPAC(1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
SMILESCOCCc1ccc(Oc2ccc(F)cc2[C@H](C)O)cc1
InChIInChI=1S/C17H19FO3/c1-12(19)16-11-14(18)5-8-17(16)21-15-6-3-13(4-7-15)9-10-20-2/h3-8,11-12,19H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyLDYYGTLMSNWUCR-LBPRGKRZSA-N
MW290.33 g/mol
LogP3.86
Rot. Bonds6

About (1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol

(1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol (PubChem CID 78938709) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
PubChem CID78938709
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name(1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
SMILESCOCCc1ccc(Oc2ccc(F)cc2[C@H](C)O)cc1
InChIInChI=1S/C17H19FO3/c1-12(19)16-11-14(18)5-8-17(16)21-15-6-3-13(4-7-15)9-10-20-2/h3-8,11-12,19H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyLDYYGTLMSNWUCR-LBPRGKRZSA-N
XLogP3.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 55185417
(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 63372547
(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone
CID 43244939
(1S)-1-[3-bromo-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 78938718
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine
CID 43314356
1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446390
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol
CID 55182628
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
CID 43506465

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol (CID 78938709) is (1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol is COCCc1ccc(Oc2ccc(F)cc2[C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol?
The InChIKey is LDYYGTLMSNWUCR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FO3/c1-12(19)16-11-14(18)5-8-17(16)21-15-6-3-13(4-7-15)9-10-20-2/h3-8,11-12,19H,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol?
(1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol has a molecular weight of 290.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol is sourced from PubChem (CID 78938709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).