3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one

C19H17FO4 — CID 156626787

IUPAC3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one
SMILESO=C1OC(COCc2ccccc2)=C(OCc2ccccc2)C1F
InChIInChI=1S/C19H17FO4/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/h1-10,17H,11-13H2
InChIKeyGYMDHRZNJJPTSN-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.53
Rot. Bonds7

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

3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one (PubChem CID 156626787) has the molecular formula C19H17FO4 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one.

Molecular Properties

Compound Name3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one
PubChem CID156626787
Molecular FormulaC19H17FO4
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Name3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one
SMILESO=C1OC(COCc2ccccc2)=C(OCc2ccccc2)C1F
InChIInChI=1S/C19H17FO4/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/h1-10,17H,11-13H2
InChIKeyGYMDHRZNJJPTSN-UHFFFAOYSA-N
XLogP3.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one?
The IUPAC name of 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one (CID 156626787) is 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one.
What is the SMILES notation for 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one?
The canonical SMILES for 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one is O=C1OC(COCc2ccccc2)=C(OCc2ccccc2)C1F.
What is the InChIKey of 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one?
The InChIKey is GYMDHRZNJJPTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO4/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/h1-10,17H,11-13H2.
What are the key properties of 3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one?
3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)-3H-furan-2-one has a molecular weight of 328.34 g/mol, XLogP of 3.53, 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)-3H-furan-2-one is sourced from PubChem (CID 156626787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).