ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate

C18H24O6 — CID 175083067

IUPACethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccccc1OC1CCCCO1)OC(C)=O
InChIInChI=1S/C18H24O6/c1-3-21-18(20)16(23-13(2)19)12-14-8-4-5-9-15(14)24-17-10-6-7-11-22-17/h4-5,8-9,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyORWXVDJPQJJKSN-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.63
Rot. Bonds7

About ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate

ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate (PubChem CID 175083067) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate
PubChem CID175083067
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Nameethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccccc1OC1CCCCO1)OC(C)=O
InChIInChI=1S/C18H24O6/c1-3-21-18(20)16(23-13(2)19)12-14-8-4-5-9-15(14)24-17-10-6-7-11-22-17/h4-5,8-9,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyORWXVDJPQJJKSN-UHFFFAOYSA-N
XLogP2.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate?
The IUPAC name of ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate (CID 175083067) is ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate.
What is the SMILES notation for ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate?
The canonical SMILES for ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate is CCOC(=O)C(Cc1ccccc1OC1CCCCO1)OC(C)=O.
What is the InChIKey of ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate?
The InChIKey is ORWXVDJPQJJKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6/c1-3-21-18(20)16(23-13(2)19)12-14-8-4-5-9-15(14)24-17-10-6-7-11-22-17/h4-5,8-9,16-17H,3,6-7,10-12H2,1-2H3.
What are the key properties of ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate?
ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate has a molecular weight of 336.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate is sourced from PubChem (CID 175083067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).