[4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate

C14H16O7 — CID 143849703

IUPAC[4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate
SMILESCOc1ccc(OC2OCC(OC(C)=O)C2OC=O)cc1
InChIInChI=1S/C14H16O7/c1-9(16)20-12-7-18-14(13(12)19-8-15)21-11-5-3-10(17-2)4-6-11/h3-6,8,12-14H,7H2,1-2H3
InChIKeyMLRQGWXFELQCFZ-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.90
Rot. Bonds6

About [4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate

[4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate (PubChem CID 143849703) has the molecular formula C14H16O7 and a molecular weight of 296.28 g/mol. Its IUPAC name is [4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate
PubChem CID143849703
Molecular FormulaC14H16O7
Molecular Weight296.28 g/mol
Exact Mass296.09
IUPAC Name[4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate
SMILESCOc1ccc(OC2OCC(OC(C)=O)C2OC=O)cc1
InChIInChI=1S/C14H16O7/c1-9(16)20-12-7-18-14(13(12)19-8-15)21-11-5-3-10(17-2)4-6-11/h3-6,8,12-14H,7H2,1-2H3
InChIKeyMLRQGWXFELQCFZ-UHFFFAOYSA-N
XLogP0.90
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;[4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate;(Z)-2-methoxyhex-2-ene
CID 143849702
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[6-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxynaphthalen-2-yl]oxyoxan-3-yl] acetate
CID 44582320
[4,5-diacetyloxy-6-(4-chlorophenoxy)oxan-3-yl] acetate
CID 3589094
[4,5-diacetyloxy-6-(4-iodophenoxy)oxan-3-yl] acetate
CID 76517783
[(3R,4S,5R,6S)-6-(4-acetamidophenoxy)-4,5-diacetyloxyoxan-3-yl] acetate
CID 11101630
[(3R,4S,5S,6S)-4,5-diacetyloxy-6-(4-methoxyphenyl)oxan-3-yl] acetate
CID 169100342
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(3R,4S,5R,6S)-4,5-diacetyloxy-6-(4-nitrophenoxy)oxan-3-yl]oxyoxan-3-yl] acetate
CID 101384613
(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol
CID 70793169
[(2S,3R,4S,5R)-4,5-diacetyloxy-2-[(3S,4S,5R,6R)-4,5-diacetyloxy-6-hydroxyoxan-3-yl]oxyoxan-3-yl] 4-methoxybenzoate
CID 171126052
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(2S,3R,4S,5R)-3,5-diacetyloxy-2-(4-nitrophenoxy)oxan-4-yl]oxyoxan-3-yl]oxyoxan-3-yl] acetate
CID 101384612
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 101443486
methyl 3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxane-2-carboxylate
CID 14672722

Frequently Asked Questions

What is the IUPAC name of [4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate?
The IUPAC name of [4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate (CID 143849703) is [4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate.
What is the SMILES notation for [4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate?
The canonical SMILES for [4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate is COc1ccc(OC2OCC(OC(C)=O)C2OC=O)cc1.
What is the InChIKey of [4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate?
The InChIKey is MLRQGWXFELQCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O7/c1-9(16)20-12-7-18-14(13(12)19-8-15)21-11-5-3-10(17-2)4-6-11/h3-6,8,12-14H,7H2,1-2H3.
What are the key properties of [4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate?
[4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate has a molecular weight of 296.28 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-formyloxy-5-(4-methoxyphenoxy)oxolan-3-yl] acetate is sourced from PubChem (CID 143849703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).