1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol

C12H16O4 — CID 105111843

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol
SMILESCCOCC(O)c1cccc2c1OCCO2
InChIInChI=1S/C12H16O4/c1-2-14-8-10(13)9-4-3-5-11-12(9)16-7-6-15-11/h3-5,10,13H,2,6-8H2,1H3
InChIKeyLNXQLXCQTSCWEZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.53
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol (PubChem CID 105111843) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol
PubChem CID105111843
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol
SMILESCCOCC(O)c1cccc2c1OCCO2
InChIInChI=1S/C12H16O4/c1-2-14-8-10(13)9-4-3-5-11-12(9)16-7-6-15-11/h3-5,10,13H,2,6-8H2,1H3
InChIKeyLNXQLXCQTSCWEZ-UHFFFAOYSA-N
XLogP1.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-hydroxypropanoate
CID 97168065
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methylphenyl)ethanol
CID 63016038
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 105087755
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028378
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4,4,4-trifluorobutan-1-ol
CID 105104728
ethyl (3R)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoate
CID 171213622
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 105109204
ethyl (3R)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoate;hydrochloride
CID 171213623
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109818
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methylidenepentyl]hydrazine
CID 105320330
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621
1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine
CID 105293760

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol (CID 105111843) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol is CCOCC(O)c1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol?
The InChIKey is LNXQLXCQTSCWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-14-8-10(13)9-4-3-5-11-12(9)16-7-6-15-11/h3-5,10,13H,2,6-8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol has a molecular weight of 224.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol is sourced from PubChem (CID 105111843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).