propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate

C24H24O7 — CID 2937789

IUPACpropan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate
SMILESCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCC(=O)OC(C)C
InChIInChI=1S/C24H24O7/c1-4-15-9-17-21(11-20(15)30-13-23(25)31-14(2)3)29-12-18(24(17)26)16-5-6-19-22(10-16)28-8-7-27-19/h5-6,9-12,14H,4,7-8,13H2,1-3H3
InChIKeyHGSCWIPJSQZSCX-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.12
Rot. Bonds6

About propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate

propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate (PubChem CID 2937789) has the molecular formula C24H24O7 and a molecular weight of 424.45 g/mol. Its IUPAC name is propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate
PubChem CID2937789
Molecular FormulaC24H24O7
Molecular Weight424.45 g/mol
Exact Mass424.15
IUPAC Namepropan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate
SMILESCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCC(=O)OC(C)C
InChIInChI=1S/C24H24O7/c1-4-15-9-17-21(11-20(15)30-13-23(25)31-14(2)3)29-12-18(24(17)26)16-5-6-19-22(10-16)28-8-7-27-19/h5-6,9-12,14H,4,7-8,13H2,1-3H3
InChIKeyHGSCWIPJSQZSCX-UHFFFAOYSA-N
XLogP4.12
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate with MolForge

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Related Compounds

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetic acid;ethanamine
CID 131664670
ethyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl]oxyacetate
CID 1307254
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl] furan-2-carboxylate
CID 1305812
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 4627006
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxochromen-7-yl] morpholine-4-carboxylate
CID 1034249
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl] 3-cyclopentylpropanoate
CID 4630209
7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one
CID 4627341
3-(1,3-benzodioxol-5-yl)-7-methoxy-6-propan-2-ylchromen-4-one
CID 4224623
methyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-2-propylchromen-7-yl]oxyacetate
CID 984041
propan-2-yl 2-[3-(1,3-benzodioxol-5-yl)-2-oxochromen-7-yl]oxyacetate
CID 4839051
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-7-(2-methylprop-2-enoxy)chromen-4-one
CID 1050259
[8-acetyloxy-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] acetate
CID 4176737

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate?
The IUPAC name of propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate (CID 2937789) is propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate.
What is the SMILES notation for propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate?
The canonical SMILES for propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate is CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate?
The InChIKey is HGSCWIPJSQZSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O7/c1-4-15-9-17-21(11-20(15)30-13-23(25)31-14(2)3)29-12-18(24(17)26)16-5-6-19-22(10-16)28-8-7-27-19/h5-6,9-12,14H,4,7-8,13H2,1-3H3.
What are the key properties of propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate?
propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate has a molecular weight of 424.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate is sourced from PubChem (CID 2937789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).