4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one

C12H14O5 — CID 171748740

IUPAC4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one
SMILESCCOc1ccccc1OCC1COC(=O)O1
InChIInChI=1S/C12H14O5/c1-2-14-10-5-3-4-6-11(10)15-7-9-8-16-12(13)17-9/h3-6,9H,2,7-8H2,1H3
InChIKeySNWYWFIUOYUNPH-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.00
Rot. Bonds5

About 4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one

4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one (PubChem CID 171748740) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one
PubChem CID171748740
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one
SMILESCCOc1ccccc1OCC1COC(=O)O1
InChIInChI=1S/C12H14O5/c1-2-14-10-5-3-4-6-11(10)15-7-9-8-16-12(13)17-9/h3-6,9H,2,7-8H2,1H3
InChIKeySNWYWFIUOYUNPH-UHFFFAOYSA-N
XLogP2.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one
CID 86330978
4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one
CID 58067944
5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 15337813
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 23044383
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 95561590
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
CID 66849130
CID 66849130
4-[(4-tert-butyl-3-chlorophenoxy)methyl]-1,3-dioxolan-2-one
CID 22154164

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one (CID 171748740) is 4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one is CCOc1ccccc1OCC1COC(=O)O1.
What is the InChIKey of 4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one?
The InChIKey is SNWYWFIUOYUNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-2-14-10-5-3-4-6-11(10)15-7-9-8-16-12(13)17-9/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one?
4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one has a molecular weight of 238.24 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 171748740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).