cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol

C12H14O3 — CID 61086940

IUPACcyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C12H14O3/c13-12(8-1-2-8)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7-8,12-13H,1-2,5-6H2
InChIKeyBOENTZYYJMIBCQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.90
Rot. Bonds2

About cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol

cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (PubChem CID 61086940) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.

Molecular Properties

Compound Namecyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
PubChem CID61086940
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namecyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C12H14O3/c13-12(8-1-2-8)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7-8,12-13H,1-2,5-6H2
InChIKeyBOENTZYYJMIBCQ-UHFFFAOYSA-N
XLogP1.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
1,3-benzodioxol-5-yl(oxan-4-yl)methanol
CID 63935647
1,3-benzodioxol-5-yl(cycloheptyl)methanol
CID 82929316
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297
1,3-benzodioxol-5-yl-(3,4-dimethylcyclohexyl)methanol
CID 64738404
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
2-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde
CID 82079204
2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol
CID 55120197
1-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diol
CID 45122033
(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 79972232

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The IUPAC name of cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (CID 61086940) is cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.
What is the SMILES notation for cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The canonical SMILES for cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is OC(c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The InChIKey is BOENTZYYJMIBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-12(8-1-2-8)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7-8,12-13H,1-2,5-6H2.
What are the key properties of cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol has a molecular weight of 206.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is sourced from PubChem (CID 61086940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).