2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane

C16H22O4 — CID 135008500

IUPAC2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane
SMILESc1ccc(CO[C@@H]2OCC[C@H]2CCC2OCCO2)cc1
InChIInChI=1S/C16H22O4/c1-2-4-13(5-3-1)12-20-16-14(8-9-19-16)6-7-15-17-10-11-18-15/h1-5,14-16H,6-12H2/t14-,16+/m1/s1
InChIKeyJOOITJPEBXSWKS-ZBFHGGJFSA-N
MW278.35 g/mol
LogP2.72
Rot. Bonds6

About 2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane

2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane (PubChem CID 135008500) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane
PubChem CID135008500
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane
SMILESc1ccc(CO[C@@H]2OCC[C@H]2CCC2OCCO2)cc1
InChIInChI=1S/C16H22O4/c1-2-4-13(5-3-1)12-20-16-14(8-9-19-16)6-7-15-17-10-11-18-15/h1-5,14-16H,6-12H2/t14-,16+/m1/s1
InChIKeyJOOITJPEBXSWKS-ZBFHGGJFSA-N
XLogP2.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylmethoxyoxetane
CID 23030739
(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate
CID 23271774
(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol
CID 54189960
[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
CID 134857022
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol
CID 70554587
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
(2R,3R)-2-methoxy-3-phenylmethoxyoxane
CID 139918795
2,4-bis(phenylmethoxy)oxane
CID 123735835
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
4-phenylmethoxyoxane
CID 66554133

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane (CID 135008500) is 2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane is c1ccc(CO[C@@H]2OCC[C@H]2CCC2OCCO2)cc1.
What is the InChIKey of 2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane?
The InChIKey is JOOITJPEBXSWKS-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H22O4/c1-2-4-13(5-3-1)12-20-16-14(8-9-19-16)6-7-15-17-10-11-18-15/h1-5,14-16H,6-12H2/t14-,16+/m1/s1.
What are the key properties of 2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane?
2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane has a molecular weight of 278.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S,3R)-2-phenylmethoxyoxolan-3-yl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 135008500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).