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

C18H16O4 — CID 3654626

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CC(c1ccc3c(c1)OCCO3)O2
InChIInChI=1S/C18H16O4/c1-11-2-4-15-13(8-11)14(19)10-17(22-15)12-3-5-16-18(9-12)21-7-6-20-16/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyFVNYMYXXKXAQHS-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.47
Rot. Bonds1

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 3654626) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one
PubChem CID3654626
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CC(c1ccc3c(c1)OCCO3)O2
InChIInChI=1S/C18H16O4/c1-11-2-4-15-13(8-11)14(19)10-17(22-15)12-3-5-16-18(9-12)21-7-6-20-16/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyFVNYMYXXKXAQHS-UHFFFAOYSA-N
XLogP3.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.47
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)-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one (CID 3654626) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)C(=O)CC(c1ccc3c(c1)OCCO3)O2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is FVNYMYXXKXAQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11-2-4-15-13(8-11)14(19)10-17(22-15)12-3-5-16-18(9-12)21-7-6-20-16/h2-5,8-9,17H,6-7,10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.47, 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)-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 3654626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).