5-phenylmethoxyoxolan-2-one

C11H12O3 — CID 67674906

IUPAC5-phenylmethoxyoxolan-2-one
SMILESO=C1CCC(OCc2ccccc2)O1
InChIInChI=1S/C11H12O3/c12-10-6-7-11(14-10)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyYTNDPWXIRGGBTE-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.87
Rot. Bonds3

About 5-phenylmethoxyoxolan-2-one

5-phenylmethoxyoxolan-2-one (PubChem CID 67674906) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-phenylmethoxyoxolan-2-one.

Molecular Properties

Compound Name5-phenylmethoxyoxolan-2-one
PubChem CID67674906
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-phenylmethoxyoxolan-2-one
SMILESO=C1CCC(OCc2ccccc2)O1
InChIInChI=1S/C11H12O3/c12-10-6-7-11(14-10)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyYTNDPWXIRGGBTE-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylmethoxyoxetane
CID 23030739
dibenzyl (6-oxooxan-2-yl) phosphate
CID 59169033
(2R)-6-methoxy-2-phenylmethoxy-3,4-dihydro-2H-chromene
CID 164682445
(5S)-5-[(1R)-1-iodo-2-phenylmethoxyethyl]oxolan-2-one
CID 11382390
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(5S)-5-[(1R,2R)-2-methyl-1-phenylmethoxybutyl]oxolan-2-one
CID 11139931
benzyl 2-(5-oxooxolan-2-yl)propanoate
CID 167309507
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
ethane;2-phenylmethoxycyclobutan-1-one
CID 143382516
5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one
CID 58249802
3,4,5-tris(phenylmethoxy)oxolan-2-one
CID 85325840

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxyoxolan-2-one?
The IUPAC name of 5-phenylmethoxyoxolan-2-one (CID 67674906) is 5-phenylmethoxyoxolan-2-one.
What is the SMILES notation for 5-phenylmethoxyoxolan-2-one?
The canonical SMILES for 5-phenylmethoxyoxolan-2-one is O=C1CCC(OCc2ccccc2)O1.
What is the InChIKey of 5-phenylmethoxyoxolan-2-one?
The InChIKey is YTNDPWXIRGGBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-10-6-7-11(14-10)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2.
What are the key properties of 5-phenylmethoxyoxolan-2-one?
5-phenylmethoxyoxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxyoxolan-2-one is sourced from PubChem (CID 67674906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).