6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene

C20H20O2 — CID 143901590

IUPAC6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene
SMILESCc1ccc2c(c1)OCCO2.Cc1cccc2ccccc12
InChIInChI=1S/C11H10.C9H10O2/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-2-3-8-9(6-7)11-5-4-10-8/h2-8H,1H3;2-3,6H,4-5H2,1H3
InChIKeyFZHQWHBWIJKNRF-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.91
Rot. Bonds

About 6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene

6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene (PubChem CID 143901590) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene.

Molecular Properties

Compound Name6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene
PubChem CID143901590
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene
SMILESCc1ccc2c(c1)OCCO2.Cc1cccc2ccccc12
InChIInChI=1S/C11H10.C9H10O2/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-2-3-8-9(6-7)11-5-4-10-8/h2-8H,1H3;2-3,6H,4-5H2,1H3
InChIKeyFZHQWHBWIJKNRF-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene?
The IUPAC name of 6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene (CID 143901590) is 6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene.
What is the SMILES notation for 6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene?
The canonical SMILES for 6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene is Cc1ccc2c(c1)OCCO2.Cc1cccc2ccccc12.
What is the InChIKey of 6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene?
The InChIKey is FZHQWHBWIJKNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C9H10O2/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-2-3-8-9(6-7)11-5-4-10-8/h2-8H,1H3;2-3,6H,4-5H2,1H3.
What are the key properties of 6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene?
6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene has a molecular weight of 292.38 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene is sourced from PubChem (CID 143901590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).