(2R)-2-(3-phenylpropyl)oxolane

C13H18O — CID 11321438

IUPAC(2R)-2-(3-phenylpropyl)oxolane
SMILESc1ccc(CCC[C@@H]2CCCO2)cc1
InChIInChI=1S/C13H18O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2/t13-/m1/s1
InChIKeyPBXKRPSGIACPQF-CYBMUJFWSA-N
MW190.29 g/mol
LogP3.19
Rot. Bonds4

About (2R)-2-(3-phenylpropyl)oxolane

(2R)-2-(3-phenylpropyl)oxolane (PubChem CID 11321438) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (2R)-2-(3-phenylpropyl)oxolane.

Molecular Properties

Compound Name(2R)-2-(3-phenylpropyl)oxolane
PubChem CID11321438
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(2R)-2-(3-phenylpropyl)oxolane
SMILESc1ccc(CCC[C@@H]2CCCO2)cc1
InChIInChI=1S/C13H18O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2/t13-/m1/s1
InChIKeyPBXKRPSGIACPQF-CYBMUJFWSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R)-2-(3-phenylpropyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-phenylpropyl)oxolane?
The IUPAC name of (2R)-2-(3-phenylpropyl)oxolane (CID 11321438) is (2R)-2-(3-phenylpropyl)oxolane.
What is the SMILES notation for (2R)-2-(3-phenylpropyl)oxolane?
The canonical SMILES for (2R)-2-(3-phenylpropyl)oxolane is c1ccc(CCC[C@@H]2CCCO2)cc1.
What is the InChIKey of (2R)-2-(3-phenylpropyl)oxolane?
The InChIKey is PBXKRPSGIACPQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2/t13-/m1/s1.
What are the key properties of (2R)-2-(3-phenylpropyl)oxolane?
(2R)-2-(3-phenylpropyl)oxolane has a molecular weight of 190.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-phenylpropyl)oxolane is sourced from PubChem (CID 11321438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).