(2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane

C15H19FO — CID 101459506

IUPAC(2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CC[C@@H](C)O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H19FO/c1-10(2)14-9-4-11(3)17-15(14)12-5-7-13(16)8-6-12/h5-8,11,14-15H,1,4,9H2,2-3H3/t11-,14+,15+/m1/s1
InChIKeyRSAMTODXIQIIPN-UGFHNGPFSA-N
MW234.31 g/mol
LogP4.26
Rot. Bonds2

About (2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane

(2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane (PubChem CID 101459506) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is (2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane.

Molecular Properties

Compound Name(2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane
PubChem CID101459506
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name(2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CC[C@@H](C)O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H19FO/c1-10(2)14-9-4-11(3)17-15(14)12-5-7-13(16)8-6-12/h5-8,11,14-15H,1,4,9H2,2-3H3/t11-,14+,15+/m1/s1
InChIKeyRSAMTODXIQIIPN-UGFHNGPFSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane?
The IUPAC name of (2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane (CID 101459506) is (2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane.
What is the SMILES notation for (2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane?
The canonical SMILES for (2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane is C=C(C)[C@@H]1CC[C@@H](C)O[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane?
The InChIKey is RSAMTODXIQIIPN-UGFHNGPFSA-N. The full InChI is InChI=1S/C15H19FO/c1-10(2)14-9-4-11(3)17-15(14)12-5-7-13(16)8-6-12/h5-8,11,14-15H,1,4,9H2,2-3H3/t11-,14+,15+/m1/s1.
What are the key properties of (2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane?
(2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane has a molecular weight of 234.31 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane is sourced from PubChem (CID 101459506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).