ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate

C15H18O3 — CID 138630636

IUPACethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1C(C)C12CCOc1ccccc12
InChIInChI=1S/C15H18O3/c1-3-17-14(16)13-10(2)15(13)8-9-18-12-7-5-4-6-11(12)15/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyZDBRWFCDZJVQOT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.54
Rot. Bonds2

About ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate

ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate (PubChem CID 138630636) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
PubChem CID138630636
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1C(C)C12CCOc1ccccc12
InChIInChI=1S/C15H18O3/c1-3-17-14(16)13-10(2)15(13)8-9-18-12-7-5-4-6-11(12)15/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyZDBRWFCDZJVQOT-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate (CID 138630636) is ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate is CCOC(=O)C1C(C)C12CCOc1ccccc12.
What is the InChIKey of ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The InChIKey is ZDBRWFCDZJVQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-3-17-14(16)13-10(2)15(13)8-9-18-12-7-5-4-6-11(12)15/h4-7,10,13H,3,8-9H2,1-2H3.
What are the key properties of ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 138630636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).