ethane;4-phenylmethoxyoxolan-2-one

C13H18O3 — CID 143867154

IUPACethane;4-phenylmethoxyoxolan-2-one
SMILESCC.O=C1CC(OCc2ccccc2)CO1
InChIInChI=1S/C11H12O3.C2H6/c12-11-6-10(8-14-11)13-7-9-4-2-1-3-5-9;1-2/h1-5,10H,6-8H2;1-2H3
InChIKeyAZRWEXGLPBCWIX-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.54
Rot. Bonds3

About ethane;4-phenylmethoxyoxolan-2-one

ethane;4-phenylmethoxyoxolan-2-one (PubChem CID 143867154) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethane;4-phenylmethoxyoxolan-2-one.

Molecular Properties

Compound Nameethane;4-phenylmethoxyoxolan-2-one
PubChem CID143867154
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethane;4-phenylmethoxyoxolan-2-one
SMILESCC.O=C1CC(OCc2ccccc2)CO1
InChIInChI=1S/C11H12O3.C2H6/c12-11-6-10(8-14-11)13-7-9-4-2-1-3-5-9;1-2/h1-5,10H,6-8H2;1-2H3
InChIKeyAZRWEXGLPBCWIX-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate
CID 23255946
4-propoxyoxolan-2-one
CID 143714534
(2S,4S)-2-methyl-4-phenylmethoxyoxolane
CID 25180326
(3R,4R,5R)-3,5-dimethyl-4-phenylmethoxyoxan-2-one
CID 158721610
(4S)-4-phenylmethoxycycloheptan-1-one
CID 124560825
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(3R,4S,5S)-3,4-bis(phenylmethoxy)-1,7-dioxaspiro[4.4]nonan-8-one
CID 10736828
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
4-phenylmethoxyoxane
CID 66554133
ethane;2-phenylmethoxycyclobutan-1-one
CID 143382516
(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one
CID 11087728

Frequently Asked Questions

What is the IUPAC name of ethane;4-phenylmethoxyoxolan-2-one?
The IUPAC name of ethane;4-phenylmethoxyoxolan-2-one (CID 143867154) is ethane;4-phenylmethoxyoxolan-2-one.
What is the SMILES notation for ethane;4-phenylmethoxyoxolan-2-one?
The canonical SMILES for ethane;4-phenylmethoxyoxolan-2-one is CC.O=C1CC(OCc2ccccc2)CO1.
What is the InChIKey of ethane;4-phenylmethoxyoxolan-2-one?
The InChIKey is AZRWEXGLPBCWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.C2H6/c12-11-6-10(8-14-11)13-7-9-4-2-1-3-5-9;1-2/h1-5,10H,6-8H2;1-2H3.
What are the key properties of ethane;4-phenylmethoxyoxolan-2-one?
ethane;4-phenylmethoxyoxolan-2-one has a molecular weight of 222.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phenylmethoxyoxolan-2-one is sourced from PubChem (CID 143867154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).