[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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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).