2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol

C13H18O2 — CID 11117220

IUPAC2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CC[C@@H](c2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-13(2,14)12-9-8-11(15-12)10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyDLHOSOFLOOXHRD-NWDGAFQWSA-N
MW206.29 g/mol
LogP2.68
Rot. Bonds2

About 2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol

2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol (PubChem CID 11117220) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol
PubChem CID11117220
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CC[C@@H](c2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-13(2,14)12-9-8-11(15-12)10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyDLHOSOFLOOXHRD-NWDGAFQWSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol (CID 11117220) is 2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol is CC(C)(O)[C@H]1CC[C@@H](c2ccccc2)O1.
What is the InChIKey of 2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol?
The InChIKey is DLHOSOFLOOXHRD-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2,14)12-9-8-11(15-12)10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol?
2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol has a molecular weight of 206.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol is sourced from PubChem (CID 11117220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).