ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate

C15H18O5 — CID 24722283

IUPACethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C15H18O5/c1-2-18-15(17)14(16)11-6-8-12(9-7-11)20-13-5-3-4-10-19-13/h6-9,13H,2-5,10H2,1H3
InChIKeyPDXYMFHZJWAJSF-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.34
Rot. Bonds5

About ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate

ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate (PubChem CID 24722283) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate
PubChem CID24722283
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Nameethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C15H18O5/c1-2-18-15(17)14(16)11-6-8-12(9-7-11)20-13-5-3-4-10-19-13/h6-9,13H,2-5,10H2,1H3
InChIKeyPDXYMFHZJWAJSF-UHFFFAOYSA-N
XLogP2.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(oxan-2-yloxy)benzoic acid
CID 11183645
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
ethyl 2-benzyl-3-[4-(oxan-2-yloxy)phenyl]prop-2-enoate
CID 69406069
1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 157467206
4-(oxan-2-yloxy)phenol
CID 11745519
triethoxy-[4-(oxan-2-yloxy)phenyl]silane
CID 71105884
N-tert-butyl-1-[4-(oxan-2-yloxy)phenyl]propan-1-imine oxide
CID 154059457
[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate
CID 19421220
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
[(1R,2S)-2-[4-(oxan-2-yloxy)phenyl]cyclohexyl] propanoate
CID 54097033
ethyl (3S)-3-[4-(oxan-2-yloxy)phenyl]-4-tributylstannylpent-4-enoate
CID 59218548

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate (CID 24722283) is ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate is CCOC(=O)C(=O)c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate?
The InChIKey is PDXYMFHZJWAJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-2-18-15(17)14(16)11-6-8-12(9-7-11)20-13-5-3-4-10-19-13/h6-9,13H,2-5,10H2,1H3.
What are the key properties of ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate?
ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate has a molecular weight of 278.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate is sourced from PubChem (CID 24722283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).