2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol

C11H14O3 — CID 117284513

IUPAC2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
SMILESCc1cc(CCO)cc2c1OCCO2
InChIInChI=1S/C11H14O3/c1-8-6-9(2-3-12)7-10-11(8)14-5-4-13-10/h6-7,12H,2-5H2,1H3
InChIKeyYCWAETCLULCPSK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.30
Rot. Bonds2

About 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol

2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol (PubChem CID 117284513) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol.

Molecular Properties

Compound Name2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
PubChem CID117284513
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
SMILESCc1cc(CCO)cc2c1OCCO2
InChIInChI=1S/C11H14O3/c1-8-6-9(2-3-12)7-10-11(8)14-5-4-13-10/h6-7,12H,2-5H2,1H3
InChIKeyYCWAETCLULCPSK-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
CID 117284628
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117297581
5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84652316
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117297535
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117302752
7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine
CID 20821264
8-(isocyanatomethyl)-6-methyl-3,4-dihydro-2H-1,5-benzodioxepine
CID 117311956
3-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-1-ol
CID 117325304
6-methyl-8-propyl-1,5-benzodioxepin-3-one
CID 170163025
2-methyl-N-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propan-1-amine
CID 58080517
2-(7-bromo-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117484960
3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325306

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The IUPAC name of 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol (CID 117284513) is 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol.
What is the SMILES notation for 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The canonical SMILES for 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol is Cc1cc(CCO)cc2c1OCCO2.
What is the InChIKey of 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The InChIKey is YCWAETCLULCPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-6-9(2-3-12)7-10-11(8)14-5-4-13-10/h6-7,12H,2-5H2,1H3.
What are the key properties of 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol has a molecular weight of 194.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol is sourced from PubChem (CID 117284513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).