ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate

C19H27NO5 — CID 14595206

IUPACethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate
SMILESCCOC(=O)CN1Cc2cc(OC)c(OC)cc2C2(CCOCC2)C1
InChIInChI=1S/C19H27NO5/c1-4-25-18(21)12-20-11-14-9-16(22-2)17(23-3)10-15(14)19(13-20)5-7-24-8-6-19/h9-10H,4-8,11-13H2,1-3H3
InChIKeyJYZCCUZBRRMHIE-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate

ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate (PubChem CID 14595206) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate
PubChem CID14595206
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Nameethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate
SMILESCCOC(=O)CN1Cc2cc(OC)c(OC)cc2C2(CCOCC2)C1
InChIInChI=1S/C19H27NO5/c1-4-25-18(21)12-20-11-14-9-16(22-2)17(23-3)10-15(14)19(13-20)5-7-24-8-6-19/h9-10H,4-8,11-13H2,1-3H3
InChIKeyJYZCCUZBRRMHIE-UHFFFAOYSA-N
XLogP2.13
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate?
The IUPAC name of ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate (CID 14595206) is ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate?
The canonical SMILES for ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate is CCOC(=O)CN1Cc2cc(OC)c(OC)cc2C2(CCOCC2)C1.
What is the InChIKey of ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate?
The InChIKey is JYZCCUZBRRMHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-4-25-18(21)12-20-11-14-9-16(22-2)17(23-3)10-15(14)19(13-20)5-7-24-8-6-19/h9-10H,4-8,11-13H2,1-3H3.
What are the key properties of ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate?
ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate has a molecular weight of 349.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)acetate is sourced from PubChem (CID 14595206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).