(1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol

C21H20FNO3 — CID 141325303

IUPAC(1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
SMILESCCc1cc([C@@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C21H20FNO3/c1-2-17-11-15(21(25)13-24)12-20(23-17)14-3-7-18(8-4-14)26-19-9-5-16(22)6-10-19/h3-12,21,24-25H,2,13H2,1H3/t21-/m0/s1
InChIKeyOWGHIKOIHARNQP-NRFANRHFSA-N
MW353.39 g/mol
LogP4.27
Rot. Bonds6

About (1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol

(1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol (PubChem CID 141325303) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is (1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
PubChem CID141325303
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name(1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
SMILESCCc1cc([C@@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C21H20FNO3/c1-2-17-11-15(21(25)13-24)12-20(23-17)14-3-7-18(8-4-14)26-19-9-5-16(22)6-10-19/h3-12,21,24-25H,2,13H2,1H3/t21-/m0/s1
InChIKeyOWGHIKOIHARNQP-NRFANRHFSA-N
XLogP4.27
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol (CID 141325303) is (1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol is CCc1cc([C@@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of (1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol?
The InChIKey is OWGHIKOIHARNQP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-2-17-11-15(21(25)13-24)12-20(23-17)14-3-7-18(8-4-14)26-19-9-5-16(22)6-10-19/h3-12,21,24-25H,2,13H2,1H3/t21-/m0/s1.
What are the key properties of (1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol?
(1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol has a molecular weight of 353.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol is sourced from PubChem (CID 141325303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).