6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol

C10H12O4 — CID 90370994

IUPAC6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol
SMILESCCc1c(O)cc2c(c1O)OCCO2
InChIInChI=1S/C10H12O4/c1-2-6-7(11)5-8-10(9(6)12)14-4-3-13-8/h5,11-12H,2-4H2,1H3
InChIKeyGQWFKIDMKPNPFM-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.43
Rot. Bonds1

About 6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol

6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol (PubChem CID 90370994) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol.

Molecular Properties

Compound Name6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol
PubChem CID90370994
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol
SMILESCCc1c(O)cc2c(c1O)OCCO2
InChIInChI=1S/C10H12O4/c1-2-6-7(11)5-8-10(9(6)12)14-4-3-13-8/h5,11-12H,2-4H2,1H3
InChIKeyGQWFKIDMKPNPFM-UHFFFAOYSA-N
XLogP1.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 59598541
N-[(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117464987
7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine
CID 84714678
5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117303715
6-bromo-4-ethyl-1,3-benzodioxol-5-ol
CID 84704791
(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 84713196
1-(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 84715496
5-[(1-aminocyclopropyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117392338
5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84692201
5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84652316
1-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-one
CID 117389798
5-(4-aminobutyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117397732

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol?
The IUPAC name of 6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol (CID 90370994) is 6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol.
What is the SMILES notation for 6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol?
The canonical SMILES for 6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol is CCc1c(O)cc2c(c1O)OCCO2.
What is the InChIKey of 6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol?
The InChIKey is GQWFKIDMKPNPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-2-6-7(11)5-8-10(9(6)12)14-4-3-13-8/h5,11-12H,2-4H2,1H3.
What are the key properties of 6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol?
6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol has a molecular weight of 196.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol is sourced from PubChem (CID 90370994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).