ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate

C16H22O4 — CID 22765982

IUPACethyl 2-[4-(oxan-4-yl)phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C16H22O4/c1-3-19-16(17)12(2)20-15-6-4-13(5-7-15)14-8-10-18-11-9-14/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeyWNGVTUOGICEIQC-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.91
Rot. Bonds5

About ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate

ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate (PubChem CID 22765982) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(oxan-4-yl)phenoxy]propanoate
PubChem CID22765982
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Nameethyl 2-[4-(oxan-4-yl)phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C16H22O4/c1-3-19-16(17)12(2)20-15-6-4-13(5-7-15)14-8-10-18-11-9-14/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeyWNGVTUOGICEIQC-UHFFFAOYSA-N
XLogP2.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate
CID 117415045
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
CID 59993707
CID 59993707
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate
CID 178149476
ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate
CID 123718793
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl (4R)-4-[4-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27088197
(4-cyclopentylphenyl) ethyl carbonate
CID 152547473
methyl 4-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 5162432
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate (CID 22765982) is ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(C2CCOCC2)cc1.
What is the InChIKey of ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate?
The InChIKey is WNGVTUOGICEIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-3-19-16(17)12(2)20-15-6-4-13(5-7-15)14-8-10-18-11-9-14/h4-7,12,14H,3,8-11H2,1-2H3.
What are the key properties of ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate?
ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate has a molecular weight of 278.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate is sourced from PubChem (CID 22765982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).