(4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate

C17H21FO6 — CID 21260917

IUPAC(4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate
SMILESCC(=O)OC1C(C)OC(OCc2ccccc2)C(F)C1OC(C)=O
InChIInChI=1S/C17H21FO6/c1-10-15(23-11(2)19)16(24-12(3)20)14(18)17(22-10)21-9-13-7-5-4-6-8-13/h4-8,10,14-17H,9H2,1-3H3
InChIKeySLCXEOOBXKXCHH-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.15
Rot. Bonds5

About (4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate

(4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate (PubChem CID 21260917) has the molecular formula C17H21FO6 and a molecular weight of 340.35 g/mol. Its IUPAC name is (4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate
PubChem CID21260917
Molecular FormulaC17H21FO6
Molecular Weight340.35 g/mol
Exact Mass340.13
IUPAC Name(4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate
SMILESCC(=O)OC1C(C)OC(OCc2ccccc2)C(F)C1OC(C)=O
InChIInChI=1S/C17H21FO6/c1-10-15(23-11(2)19)16(24-12(3)20)14(18)17(22-10)21-9-13-7-5-4-6-8-13/h4-8,10,14-17H,9H2,1-3H3
InChIKeySLCXEOOBXKXCHH-UHFFFAOYSA-N
XLogP2.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Icariside F2
CID 14079045
Benzyl b-primeveroside
CID 14730864
Hydrangeifolin I
CID 10549806
Benzyl beta-d-glucopyranoside
CID 188977
Benzyl beta-primeveroside
CID 131248
Phenylmethyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
CID 6453389
Benzylidene diacetate
CID 68489
(2S,3S,4R,5R,6S)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol
CID 44559130
4,4,6-Trimethyl-2-phenyl-1,3-dioxane
CID 95632
beta-D-Galactopyranoside, phenylmethyl
CID 11032917
methyl 4,6-O-benzylidene-alpha-D-glucopyranoside
CID 11822086
2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 4984739

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate?
The IUPAC name of (4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate (CID 21260917) is (4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate.
What is the SMILES notation for (4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate?
The canonical SMILES for (4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate is CC(=O)OC1C(C)OC(OCc2ccccc2)C(F)C1OC(C)=O.
What is the InChIKey of (4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate?
The InChIKey is SLCXEOOBXKXCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO6/c1-10-15(23-11(2)19)16(24-12(3)20)14(18)17(22-10)21-9-13-7-5-4-6-8-13/h4-8,10,14-17H,9H2,1-3H3.
What are the key properties of (4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate?
(4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate has a molecular weight of 340.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate is sourced from PubChem (CID 21260917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).