(3R,4S)-3-phenyl-4-propan-2-yloxolane

C13H18O — CID 10631550

IUPAC(3R,4S)-3-phenyl-4-propan-2-yloxolane
SMILESCC(C)[C@@H]1COC[C@H]1c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)12-8-14-9-13(12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyLHUGCTTZEDQBHB-STQMWFEESA-N
MW190.29 g/mol
LogP3.07
Rot. Bonds2

About (3R,4S)-3-phenyl-4-propan-2-yloxolane

(3R,4S)-3-phenyl-4-propan-2-yloxolane (PubChem CID 10631550) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (3R,4S)-3-phenyl-4-propan-2-yloxolane.

Molecular Properties

Compound Name(3R,4S)-3-phenyl-4-propan-2-yloxolane
PubChem CID10631550
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(3R,4S)-3-phenyl-4-propan-2-yloxolane
SMILESCC(C)[C@@H]1COC[C@H]1c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)12-8-14-9-13(12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyLHUGCTTZEDQBHB-STQMWFEESA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-phenyl-4-propan-2-yloxolane?
The IUPAC name of (3R,4S)-3-phenyl-4-propan-2-yloxolane (CID 10631550) is (3R,4S)-3-phenyl-4-propan-2-yloxolane.
What is the SMILES notation for (3R,4S)-3-phenyl-4-propan-2-yloxolane?
The canonical SMILES for (3R,4S)-3-phenyl-4-propan-2-yloxolane is CC(C)[C@@H]1COC[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-phenyl-4-propan-2-yloxolane?
The InChIKey is LHUGCTTZEDQBHB-STQMWFEESA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)12-8-14-9-13(12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (3R,4S)-3-phenyl-4-propan-2-yloxolane?
(3R,4S)-3-phenyl-4-propan-2-yloxolane has a molecular weight of 190.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-phenyl-4-propan-2-yloxolane is sourced from PubChem (CID 10631550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).