1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol

C12H14O3 — CID 117294683

IUPAC1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
SMILESCc1ccc2c(c1C1(O)CC1)OCCO2
InChIInChI=1S/C12H14O3/c1-8-2-3-9-11(15-7-6-14-9)10(8)12(13)4-5-12/h2-3,13H,4-7H2,1H3
InChIKeyXKAMDBUOGKZGJG-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.75
Rot. Bonds1

About 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol

1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol (PubChem CID 117294683) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
PubChem CID117294683
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
SMILESCc1ccc2c(c1C1(O)CC1)OCCO2
InChIInChI=1S/C12H14O3/c1-8-2-3-9-11(15-7-6-14-9)10(8)12(13)4-5-12/h2-3,13H,4-7H2,1H3
InChIKeyXKAMDBUOGKZGJG-UHFFFAOYSA-N
XLogP1.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol?
The IUPAC name of 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol (CID 117294683) is 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol is Cc1ccc2c(c1C1(O)CC1)OCCO2.
What is the InChIKey of 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol?
The InChIKey is XKAMDBUOGKZGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-2-3-9-11(15-7-6-14-9)10(8)12(13)4-5-12/h2-3,13H,4-7H2,1H3.
What are the key properties of 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol?
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol has a molecular weight of 206.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol is sourced from PubChem (CID 117294683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).