(5-phenyloxolan-2-yl) acetate

C12H14O3 — CID 121009133

IUPAC(5-phenyloxolan-2-yl) acetate
SMILESCC(=O)OC1CCC(c2ccccc2)O1
InChIInChI=1S/C12H14O3/c1-9(13)14-12-8-7-11(15-12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
InChIKeyBPRLBCKWIBGROG-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.43
Rot. Bonds2

About (5-phenyloxolan-2-yl) acetate

(5-phenyloxolan-2-yl) acetate (PubChem CID 121009133) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (5-phenyloxolan-2-yl) acetate.

Molecular Properties

Compound Name(5-phenyloxolan-2-yl) acetate
PubChem CID121009133
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(5-phenyloxolan-2-yl) acetate
SMILESCC(=O)OC1CCC(c2ccccc2)O1
InChIInChI=1S/C12H14O3/c1-9(13)14-12-8-7-11(15-12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
InChIKeyBPRLBCKWIBGROG-UHFFFAOYSA-N
XLogP2.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S,6S)-4-hydroxy-6-phenyloxan-2-yl] acetate
CID 134833790
[(2S,3S,4S,6S)-3-acetyloxy-2-methyl-6-phenyloxan-4-yl] acetate
CID 10039969
[(3R,5R)-5-phenyloxolan-3-yl] acetate
CID 90478074
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693091
[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693090
(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate
CID 102309287
methyl (5-phenyloxolan-2-yl)methyl carbonate
CID 21306100
[(1R,2R,3R,6R)-2-hydroxy-3,6-diphenylcyclohexyl] acetate
CID 38361315
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
methyl 3-(4-acetyloxy-6-phenyloxan-2-yl)benzoate
CID 121302378
2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol
CID 11117220

Frequently Asked Questions

What is the IUPAC name of (5-phenyloxolan-2-yl) acetate?
The IUPAC name of (5-phenyloxolan-2-yl) acetate (CID 121009133) is (5-phenyloxolan-2-yl) acetate.
What is the SMILES notation for (5-phenyloxolan-2-yl) acetate?
The canonical SMILES for (5-phenyloxolan-2-yl) acetate is CC(=O)OC1CCC(c2ccccc2)O1.
What is the InChIKey of (5-phenyloxolan-2-yl) acetate?
The InChIKey is BPRLBCKWIBGROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(13)14-12-8-7-11(15-12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3.
What are the key properties of (5-phenyloxolan-2-yl) acetate?
(5-phenyloxolan-2-yl) acetate has a molecular weight of 206.24 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyloxolan-2-yl) acetate is sourced from PubChem (CID 121009133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).