2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one

C17H14O4 — CID 3745584

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc3c(c2)OCCO3)Oc2ccccc21
InChIInChI=1S/C17H14O4/c18-13-10-16(21-14-4-2-1-3-12(13)14)11-5-6-15-17(9-11)20-8-7-19-15/h1-6,9,16H,7-8,10H2
InChIKeyUBZAWLKMTBKAHD-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.16
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one (PubChem CID 3745584) has the molecular formula C17H14O4 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one
PubChem CID3745584
Molecular FormulaC17H14O4
Molecular Weight282.29 g/mol
Exact Mass282.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc3c(c2)OCCO3)Oc2ccccc21
InChIInChI=1S/C17H14O4/c18-13-10-16(21-14-4-2-1-3-12(13)14)11-5-6-15-17(9-11)20-8-7-19-15/h1-6,9,16H,7-8,10H2
InChIKeyUBZAWLKMTBKAHD-UHFFFAOYSA-N
XLogP3.16
TPSA44.76 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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one (CID 3745584) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccc3c(c2)OCCO3)Oc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one?
The InChIKey is UBZAWLKMTBKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-13-10-16(21-14-4-2-1-3-12(13)14)11-5-6-15-17(9-11)20-8-7-19-15/h1-6,9,16H,7-8,10H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one has a molecular weight of 282.29 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 3745584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).