(3S,5R)-5-phenyloxolan-3-ol

C10H12O2 — CID 97052112

IUPAC(3S,5R)-5-phenyloxolan-3-ol
SMILESO[C@@H]1CO[C@@H](c2ccccc2)C1
InChIInChI=1S/C10H12O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10+/m0/s1
InChIKeyCLLMDDBRVJALNV-VHSXEESVSA-N
MW164.20 g/mol
LogP1.51
Rot. Bonds1

About (3S,5R)-5-phenyloxolan-3-ol

(3S,5R)-5-phenyloxolan-3-ol (PubChem CID 97052112) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (3S,5R)-5-phenyloxolan-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-phenyloxolan-3-ol
PubChem CID97052112
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(3S,5R)-5-phenyloxolan-3-ol
SMILESO[C@@H]1CO[C@@H](c2ccccc2)C1
InChIInChI=1S/C10H12O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10+/m0/s1
InChIKeyCLLMDDBRVJALNV-VHSXEESVSA-N
XLogP1.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-phenyloxan-4-ol
CID 67658519
2-phenyloxirane
CID 7276
ethane;2-phenyloxirane
CID 54171856
(2S,5S)-4-bromo-5-methyl-2-phenyloxane
CID 102496520
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
CID 101086395
(2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol
CID 23253721
3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
CID 130149634
(1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
CID 131086080
[(3S,5S)-5-phenyloxolan-3-yl] benzoate
CID 101478527
[(3R,5R)-5-phenyloxolan-3-yl] acetate
CID 90478074
(2R,4S,6R)-2-(furan-2-yl)-6-phenyloxan-4-ol
CID 44519098

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-phenyloxolan-3-ol?
The IUPAC name of (3S,5R)-5-phenyloxolan-3-ol (CID 97052112) is (3S,5R)-5-phenyloxolan-3-ol.
What is the SMILES notation for (3S,5R)-5-phenyloxolan-3-ol?
The canonical SMILES for (3S,5R)-5-phenyloxolan-3-ol is O[C@@H]1CO[C@@H](c2ccccc2)C1.
What is the InChIKey of (3S,5R)-5-phenyloxolan-3-ol?
The InChIKey is CLLMDDBRVJALNV-VHSXEESVSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10+/m0/s1.
What are the key properties of (3S,5R)-5-phenyloxolan-3-ol?
(3S,5R)-5-phenyloxolan-3-ol has a molecular weight of 164.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-phenyloxolan-3-ol is sourced from PubChem (CID 97052112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).