1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone

C15H16O4 — CID 177499030

IUPAC1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone
SMILESCC[C@@H]1C(C(C)=O)=C(C)Oc2cc3c(cc21)OCO3
InChIInChI=1S/C15H16O4/c1-4-10-11-5-13-14(18-7-17-13)6-12(11)19-9(3)15(10)8(2)16/h5-6,10H,4,7H2,1-3H3/t10-/m0/s1
InChIKeyFRPKKPYJMQKFGA-JTQLQIEISA-N
MW260.29 g/mol
LogP3.16
Rot. Bonds2

About 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone

1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone (PubChem CID 177499030) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone.

Molecular Properties

Compound Name1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone
PubChem CID177499030
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone
SMILESCC[C@@H]1C(C(C)=O)=C(C)Oc2cc3c(cc21)OCO3
InChIInChI=1S/C15H16O4/c1-4-10-11-5-13-14(18-7-17-13)6-12(11)19-9(3)15(10)8(2)16/h5-6,10H,4,7H2,1-3H3/t10-/m0/s1
InChIKeyFRPKKPYJMQKFGA-JTQLQIEISA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone with MolForge

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)ethanone
CID 12650935
8-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 91637670
dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate
CID 70986389
ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate
CID 146232024
ethyl (4S)-6-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 6958732
[(1R,11S,12S,13R)-13-(acetyloxymethyl)-5,7,14-trioxatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4(8),9-trien-12-yl]methyl acetate
CID 11823828
diethyl 25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene-6,18-dicarboxylate
CID 45276962
3-[29,33,37-tris(3-hydroxypropyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5,7(34),11(32),12,17(28),18,23(39),24(40),26,30,35-dodecaen-25-yl]propan-1-ol
CID 10533205
diethyl (4R)-2-amino-4-(1,3-benzodioxol-5-yl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 8613895
2-(7-ethyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetic acid
CID 82157911
dimethyl (1S,11R,12R,13S)-5,7,14-trioxatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4(8),9-triene-12,13-dicarboxylate
CID 10804569
ethyl 5-chloro-7-methyl-5H-cyclopenta[f][1,3]benzodioxole-6-carboxylate
CID 3763417

Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone?
The IUPAC name of 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone (CID 177499030) is 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone.
What is the SMILES notation for 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone?
The canonical SMILES for 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone is CC[C@@H]1C(C(C)=O)=C(C)Oc2cc3c(cc21)OCO3.
What is the InChIKey of 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone?
The InChIKey is FRPKKPYJMQKFGA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16O4/c1-4-10-11-5-13-14(18-7-17-13)6-12(11)19-9(3)15(10)8(2)16/h5-6,10H,4,7H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone?
1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone has a molecular weight of 260.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone is sourced from PubChem (CID 177499030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).