(2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol

C20H23FO2 — CID 102028251

IUPAC(2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol
SMILESC[C@@H]1[C@@H](O)C[C@@H](CCc2ccccc2)O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H23FO2/c1-14-19(22)13-18(12-7-15-5-3-2-4-6-15)23-20(14)16-8-10-17(21)11-9-16/h2-6,8-11,14,18-20,22H,7,12-13H2,1H3/t14-,18-,19+,20-/m1/s1
InChIKeyBQVXKPFZYHDCFP-PPRPKMEESA-N
MW314.40 g/mol
LogP4.29
Rot. Bonds4

About (2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol

(2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol (PubChem CID 102028251) has the molecular formula C20H23FO2 and a molecular weight of 314.40 g/mol. Its IUPAC name is (2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol
PubChem CID102028251
Molecular FormulaC20H23FO2
Molecular Weight314.40 g/mol
Exact Mass314.17
IUPAC Name(2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol
SMILESC[C@@H]1[C@@H](O)C[C@@H](CCc2ccccc2)O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H23FO2/c1-14-19(22)13-18(12-7-15-5-3-2-4-6-15)23-20(14)16-8-10-17(21)11-9-16/h2-6,8-11,14,18-20,22H,7,12-13H2,1H3/t14-,18-,19+,20-/m1/s1
InChIKeyBQVXKPFZYHDCFP-PPRPKMEESA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol?
The IUPAC name of (2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol (CID 102028251) is (2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol.
What is the SMILES notation for (2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol?
The canonical SMILES for (2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol is C[C@@H]1[C@@H](O)C[C@@H](CCc2ccccc2)O[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol?
The InChIKey is BQVXKPFZYHDCFP-PPRPKMEESA-N. The full InChI is InChI=1S/C20H23FO2/c1-14-19(22)13-18(12-7-15-5-3-2-4-6-15)23-20(14)16-8-10-17(21)11-9-16/h2-6,8-11,14,18-20,22H,7,12-13H2,1H3/t14-,18-,19+,20-/m1/s1.
What are the key properties of (2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol?
(2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol has a molecular weight of 314.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,6R)-2-(4-fluorophenyl)-3-methyl-6-(2-phenylethyl)oxan-4-ol is sourced from PubChem (CID 102028251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).