2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol

C13H18O3 — CID 84687648

IUPAC2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
SMILESCCc1cc2c(cc1C(C)(C)O)OCCO2
InChIInChI=1S/C13H18O3/c1-4-9-7-11-12(16-6-5-15-11)8-10(9)13(2,3)14/h7-8,14H,4-6H2,1-3H3
InChIKeyIVKIIEGSCOLAGK-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.25
Rot. Bonds2

About 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol

2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol (PubChem CID 84687648) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol.

Molecular Properties

Compound Name2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
PubChem CID84687648
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
SMILESCCc1cc2c(cc1C(C)(C)O)OCCO2
InChIInChI=1S/C13H18O3/c1-4-9-7-11-12(16-6-5-15-11)8-10(9)13(2,3)14/h7-8,14H,4-6H2,1-3H3
InChIKeyIVKIIEGSCOLAGK-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-ol
CID 117379576
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 84678952
7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 155120601
2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol
CID 84709686
[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
CID 84693364
6-tert-butyl-7-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 13202122
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol
CID 117314324
3-[6-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-2,2-dimethylpropanoic acid
CID 117453579
2-[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethanamine
CID 84703800
2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 84715487
1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 82476704
[2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-trimethylazanium
CID 3248088

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
The IUPAC name of 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol (CID 84687648) is 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol.
What is the SMILES notation for 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
The canonical SMILES for 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol is CCc1cc2c(cc1C(C)(C)O)OCCO2.
What is the InChIKey of 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
The InChIKey is IVKIIEGSCOLAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-9-7-11-12(16-6-5-15-11)8-10(9)13(2,3)14/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol has a molecular weight of 222.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol is sourced from PubChem (CID 84687648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).