2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

C12H16O3 — CID 117297595

IUPAC2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESCCc1c(CCO)ccc2c1OCCO2
InChIInChI=1S/C12H16O3/c1-2-10-9(5-6-13)3-4-11-12(10)15-8-7-14-11/h3-4,13H,2,5-8H2,1H3
InChIKeyQHQNQPZFGOSYET-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.55
Rot. Bonds3

About 2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (PubChem CID 117297595) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.

Molecular Properties

Compound Name2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
PubChem CID117297595
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESCCc1c(CCO)ccc2c1OCCO2
InChIInChI=1S/C12H16O3/c1-2-10-9(5-6-13)3-4-11-12(10)15-8-7-14-11/h3-4,13H,2,5-8H2,1H3
InChIKeyQHQNQPZFGOSYET-UHFFFAOYSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol
CID 117284510
4-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 117379157
3-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117343355
1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117338688
2-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 117345190
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117302751
3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117434969
5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
CID 117279028
(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117289542
2-(9-bromo-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 117484958
(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117303095
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The IUPAC name of 2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (CID 117297595) is 2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.
What is the SMILES notation for 2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The canonical SMILES for 2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is CCc1c(CCO)ccc2c1OCCO2.
What is the InChIKey of 2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The InChIKey is QHQNQPZFGOSYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-10-9(5-6-13)3-4-11-12(10)15-8-7-14-11/h3-4,13H,2,5-8H2,1H3.
What are the key properties of 2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol has a molecular weight of 208.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is sourced from PubChem (CID 117297595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).