oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate

C18H20O6 — CID 3235638

IUPACoxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate
SMILESCOc1ccccc1OCc1ccc(C(=O)OCC2CCCO2)o1
InChIInChI=1S/C18H20O6/c1-20-15-6-2-3-7-16(15)22-12-14-8-9-17(24-14)18(19)23-11-13-5-4-10-21-13/h2-3,6-9,13H,4-5,10-12H2,1H3
InChIKeyZHIDMHREWBFMMI-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.20
Rot. Bonds7

About oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate

oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate (PubChem CID 3235638) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate
PubChem CID3235638
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Nameoxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate
SMILESCOc1ccccc1OCc1ccc(C(=O)OCC2CCCO2)o1
InChIInChI=1S/C18H20O6/c1-20-15-6-2-3-7-16(15)22-12-14-8-9-17(24-14)18(19)23-11-13-5-4-10-21-13/h2-3,6-9,13H,4-5,10-12H2,1H3
InChIKeyZHIDMHREWBFMMI-UHFFFAOYSA-N
XLogP3.20
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate (CID 3235638) is oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate is COc1ccccc1OCc1ccc(C(=O)OCC2CCCO2)o1.
What is the InChIKey of oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate?
The InChIKey is ZHIDMHREWBFMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-20-15-6-2-3-7-16(15)22-12-14-8-9-17(24-14)18(19)23-11-13-5-4-10-21-13/h2-3,6-9,13H,4-5,10-12H2,1H3.
What are the key properties of oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate?
oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate has a molecular weight of 332.35 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 5-[(2-methoxyphenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 3235638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).