9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one

C17H14O4 — CID 178046051

IUPAC9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
SMILESO=c1cc(C2=CCCC=C2)oc2c3c(ccc12)OCCO3
InChIInChI=1S/C17H14O4/c18-13-10-15(11-4-2-1-3-5-11)21-16-12(13)6-7-14-17(16)20-9-8-19-14/h2,4-7,10H,1,3,8-9H2
InChIKeyMFZWUGGDGDMECU-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.30
Rot. Bonds1

About 9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one

9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one (PubChem CID 178046051) has the molecular formula C17H14O4 and a molecular weight of 282.29 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
PubChem CID178046051
Molecular FormulaC17H14O4
Molecular Weight282.29 g/mol
Exact Mass282.09
IUPAC Name9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
SMILESO=c1cc(C2=CCCC=C2)oc2c3c(ccc12)OCCO3
InChIInChI=1S/C17H14O4/c18-13-10-15(11-4-2-1-3-5-11)21-16-12(13)6-7-14-17(16)20-9-8-19-14/h2,4-7,10H,1,3,8-9H2
InChIKeyMFZWUGGDGDMECU-UHFFFAOYSA-N
XLogP3.30
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 178046081
9-(2-aminoethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 28751176
8-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-9-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 984023
20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one
CID 15667963
20-methyl-2,5,11,14,17-pentaoxa-8-azatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one
CID 25146439
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
2-(8-methoxy-4-oxo-2-quinolin-6-ylchromen-7-yl)oxy-N-methylacetamide;9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 178046162
6-cyclohexa-1,5-dien-1-ylisochromen-1-one
CID 90031317
9-methyl-8-(4-nitrophenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 911271
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
CID 984016
2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one
CID 135167543
1-cyclohexa-1,5-dien-1-yl-4-(5,6-dihydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione
CID 144689591

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one?
The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one (CID 178046051) is 9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one.
What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one?
The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one is O=c1cc(C2=CCCC=C2)oc2c3c(ccc12)OCCO3.
What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one?
The InChIKey is MFZWUGGDGDMECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-13-10-15(11-4-2-1-3-5-11)21-16-12(13)6-7-14-17(16)20-9-8-19-14/h2,4-7,10H,1,3,8-9H2.
What are the key properties of 9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one?
9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one has a molecular weight of 282.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-1-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one is sourced from PubChem (CID 178046051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).