8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine

C12H16O2 — CID 12621940

IUPAC8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCc1ccc(C(C)C)c2c1OCCO2
InChIInChI=1S/C12H16O2/c1-8(2)10-5-4-9(3)11-12(10)14-7-6-13-11/h4-5,8H,6-7H2,1-3H3
InChIKeyJOOOCNZSKAVSLP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.89
Rot. Bonds1

About 8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine

8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine (PubChem CID 12621940) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine
PubChem CID12621940
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCc1ccc(C(C)C)c2c1OCCO2
InChIInChI=1S/C12H16O2/c1-8(2)10-5-4-9(3)11-12(10)14-7-6-13-11/h4-5,8H,6-7H2,1-3H3
InChIKeyJOOOCNZSKAVSLP-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine (CID 12621940) is 8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine is Cc1ccc(C(C)C)c2c1OCCO2.
What is the InChIKey of 8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is JOOOCNZSKAVSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(2)10-5-4-9(3)11-12(10)14-7-6-13-11/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 192.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 12621940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).