3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one

C19H19FO4 — CID 77175213

IUPAC3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESO=C1OC(COCc2ccccc2)C(OCc2ccccc2)C1F
InChIInChI=1S/C19H19FO4/c20-17-18(23-12-15-9-5-2-6-10-15)16(24-19(17)21)13-22-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13H2
InChIKeyHEYCIUFBODNURY-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.05
Rot. Bonds7

About 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one

3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 77175213) has the molecular formula C19H19FO4 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID77175213
Molecular FormulaC19H19FO4
Molecular Weight330.35 g/mol
Exact Mass330.13
IUPAC Name3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESO=C1OC(COCc2ccccc2)C(OCc2ccccc2)C1F
InChIInChI=1S/C19H19FO4/c20-17-18(23-12-15-9-5-2-6-10-15)16(24-19(17)21)13-22-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13H2
InChIKeyHEYCIUFBODNURY-UHFFFAOYSA-N
XLogP3.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
CID 10712966
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
(2R,3R,4R,5S,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90920188
(2S,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 14039722
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 11743535
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 166718283
(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 130316791

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one (CID 77175213) is 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one is O=C1OC(COCc2ccccc2)C(OCc2ccccc2)C1F.
What is the InChIKey of 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is HEYCIUFBODNURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4/c20-17-18(23-12-15-9-5-2-6-10-15)16(24-19(17)21)13-22-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13H2.
What are the key properties of 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 330.35 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 77175213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).