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

C17H19FO3 — CID 63372547

IUPAC(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
SMILESCOCCc1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1
InChIInChI=1S/C17H19FO3/c1-12(19)14-5-8-17(16(18)11-14)21-15-6-3-13(4-7-15)9-10-20-2/h3-8,11-12,19H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyXMVINRAXBVHXOX-GFCCVEGCSA-N
MW290.33 g/mol
LogP3.86
Rot. Bonds6

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

(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol (PubChem CID 63372547) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
PubChem CID63372547
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
SMILESCOCCc1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1
InChIInChI=1S/C17H19FO3/c1-12(19)14-5-8-17(16(18)11-14)21-15-6-3-13(4-7-15)9-10-20-2/h3-8,11-12,19H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyXMVINRAXBVHXOX-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol (CID 63372547) is (1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol is COCCc1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1.
What is the InChIKey of (1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol?
The InChIKey is XMVINRAXBVHXOX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FO3/c1-12(19)14-5-8-17(16(18)11-14)21-15-6-3-13(4-7-15)9-10-20-2/h3-8,11-12,19H,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol?
(1R)-1-[3-fluoro-4-[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 (1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol is sourced from PubChem (CID 63372547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).