ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate

C16H20O4 — CID 139426939

IUPACethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1C(C)[C@]12CCOc1cc(OC)ccc12
InChIInChI=1S/C16H20O4/c1-4-19-15(17)14-10(2)16(14)7-8-20-13-9-11(18-3)5-6-12(13)16/h5-6,9-10,14H,4,7-8H2,1-3H3/t10?,14?,16-/m0/s1
InChIKeyBRAGPHDWYYRIDS-QNBRKVGXSA-N
MW276.33 g/mol
LogP2.54
Rot. Bonds3

About ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate

ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate (PubChem CID 139426939) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
PubChem CID139426939
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Nameethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1C(C)[C@]12CCOc1cc(OC)ccc12
InChIInChI=1S/C16H20O4/c1-4-19-15(17)14-10(2)16(14)7-8-20-13-9-11(18-3)5-6-12(13)16/h5-6,9-10,14H,4,7-8H2,1-3H3/t10?,14?,16-/m0/s1
InChIKeyBRAGPHDWYYRIDS-QNBRKVGXSA-N
XLogP2.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate (CID 139426939) is ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate is CCOC(=O)C1C(C)[C@]12CCOc1cc(OC)ccc12.
What is the InChIKey of ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The InChIKey is BRAGPHDWYYRIDS-QNBRKVGXSA-N. The full InChI is InChI=1S/C16H20O4/c1-4-19-15(17)14-10(2)16(14)7-8-20-13-9-11(18-3)5-6-12(13)16/h5-6,9-10,14H,4,7-8H2,1-3H3/t10?,14?,16-/m0/s1.
What are the key properties of ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate has a molecular weight of 276.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-7-methoxy-3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 139426939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).