ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate

C19H26O5 — CID 164537921

IUPACethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate
SMILESCCOC(=O)CC1(c2cccc(COC3CCCCO3)c2)COC1
InChIInChI=1S/C19H26O5/c1-2-22-17(20)11-19(13-21-14-19)16-7-5-6-15(10-16)12-24-18-8-3-4-9-23-18/h5-7,10,18H,2-4,8-9,11-14H2,1H3
InChIKeyIQKUGJVDCDHUPL-UHFFFAOYSA-N
MW334.41 g/mol
LogP2.95
Rot. Bonds7

About ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate

ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate (PubChem CID 164537921) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate
PubChem CID164537921
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Nameethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate
SMILESCCOC(=O)CC1(c2cccc(COC3CCCCO3)c2)COC1
InChIInChI=1S/C19H26O5/c1-2-22-17(20)11-19(13-21-14-19)16-7-5-6-15(10-16)12-24-18-8-3-4-9-23-18/h5-7,10,18H,2-4,8-9,11-14H2,1H3
InChIKeyIQKUGJVDCDHUPL-UHFFFAOYSA-N
XLogP2.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate?
The IUPAC name of ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate (CID 164537921) is ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate?
The canonical SMILES for ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate is CCOC(=O)CC1(c2cccc(COC3CCCCO3)c2)COC1.
What is the InChIKey of ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate?
The InChIKey is IQKUGJVDCDHUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-2-22-17(20)11-19(13-21-14-19)16-7-5-6-15(10-16)12-24-18-8-3-4-9-23-18/h5-7,10,18H,2-4,8-9,11-14H2,1H3.
What are the key properties of ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate?
ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate has a molecular weight of 334.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[3-(oxan-2-yloxymethyl)phenyl]oxetan-3-yl]acetate is sourced from PubChem (CID 164537921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).