methyl (5-phenyloxolan-2-yl)methyl carbonate

C13H16O4 — CID 21306100

IUPACmethyl (5-phenyloxolan-2-yl)methyl carbonate
SMILESCOC(=O)OCC1CCC(c2ccccc2)O1
InChIInChI=1S/C13H16O4/c1-15-13(14)16-9-11-7-8-12(17-11)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKeyHTFUHINUGUHCPT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.69
Rot. Bonds3

About methyl (5-phenyloxolan-2-yl)methyl carbonate

methyl (5-phenyloxolan-2-yl)methyl carbonate (PubChem CID 21306100) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl (5-phenyloxolan-2-yl)methyl carbonate.

Molecular Properties

Compound Namemethyl (5-phenyloxolan-2-yl)methyl carbonate
PubChem CID21306100
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Namemethyl (5-phenyloxolan-2-yl)methyl carbonate
SMILESCOC(=O)OCC1CCC(c2ccccc2)O1
InChIInChI=1S/C13H16O4/c1-15-13(14)16-9-11-7-8-12(17-11)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKeyHTFUHINUGUHCPT-UHFFFAOYSA-N
XLogP2.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-2-[(5R)-5-phenyloxolan-2-yl]acetate
CID 102309287
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
(2S,5R)-2-(bromomethyl)-5-phenyloxolane
CID 23247977
(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
CID 11425650
(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane
CID 156851355
(5-phenyloxolan-2-yl) acetate
CID 121009133
[(2R,4S,6S)-4-chloro-6-phenyloxan-2-yl]methyl benzoate
CID 102148599
methyl 2-[[(5-aminooxolan-2-yl)methoxy-phenoxyphosphoryl]amino]propanoate
CID 129125500
4-[[(2R,5S)-5-phenyloxolan-2-yl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122014785
benzyl-dimethyl-[(5-phenyloxolan-2-yl)methyl]silane
CID 85432039
ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
CID 101247662

Frequently Asked Questions

What is the IUPAC name of methyl (5-phenyloxolan-2-yl)methyl carbonate?
The IUPAC name of methyl (5-phenyloxolan-2-yl)methyl carbonate (CID 21306100) is methyl (5-phenyloxolan-2-yl)methyl carbonate.
What is the SMILES notation for methyl (5-phenyloxolan-2-yl)methyl carbonate?
The canonical SMILES for methyl (5-phenyloxolan-2-yl)methyl carbonate is COC(=O)OCC1CCC(c2ccccc2)O1.
What is the InChIKey of methyl (5-phenyloxolan-2-yl)methyl carbonate?
The InChIKey is HTFUHINUGUHCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-15-13(14)16-9-11-7-8-12(17-11)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3.
What are the key properties of methyl (5-phenyloxolan-2-yl)methyl carbonate?
methyl (5-phenyloxolan-2-yl)methyl carbonate has a molecular weight of 236.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5-phenyloxolan-2-yl)methyl carbonate is sourced from PubChem (CID 21306100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).