ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate

C14H18O5 — CID 137346136

IUPACethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C1OCCCO1
InChIInChI=1S/C14H18O5/c1-2-16-13(15)10-19-12-7-4-3-6-11(12)14-17-8-5-9-18-14/h3-4,6-7,14H,2,5,8-10H2,1H3
InChIKeyWWXSJZZIKVHJBZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.06
Rot. Bonds5

About ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate

ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate (PubChem CID 137346136) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate
PubChem CID137346136
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C1OCCCO1
InChIInChI=1S/C14H18O5/c1-2-16-13(15)10-19-12-7-4-3-6-11(12)14-17-8-5-9-18-14/h3-4,6-7,14H,2,5,8-10H2,1H3
InChIKeyWWXSJZZIKVHJBZ-UHFFFAOYSA-N
XLogP2.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
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CID 88907825
CID 88907825

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate (CID 137346136) is ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate is CCOC(=O)COc1ccccc1C1OCCCO1.
What is the InChIKey of ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate?
The InChIKey is WWXSJZZIKVHJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-2-16-13(15)10-19-12-7-4-3-6-11(12)14-17-8-5-9-18-14/h3-4,6-7,14H,2,5,8-10H2,1H3.
What are the key properties of ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate?
ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate has a molecular weight of 266.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate is sourced from PubChem (CID 137346136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).