3-ethyl-2H-1,4-benzodioxin-3-ol

C10H12O3 — CID 13487110

IUPAC3-ethyl-2H-1,4-benzodioxin-3-ol
SMILESCCC1(O)COc2ccccc2O1
InChIInChI=1S/C10H12O3/c1-2-10(11)7-12-8-5-3-4-6-9(8)13-10/h3-6,11H,2,7H2,1H3
InChIKeyFXKFSCRKFRCJKD-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.56
Rot. Bonds1

About 3-ethyl-2H-1,4-benzodioxin-3-ol

3-ethyl-2H-1,4-benzodioxin-3-ol (PubChem CID 13487110) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-ethyl-2H-1,4-benzodioxin-3-ol.

Molecular Properties

Compound Name3-ethyl-2H-1,4-benzodioxin-3-ol
PubChem CID13487110
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-ethyl-2H-1,4-benzodioxin-3-ol
SMILESCCC1(O)COc2ccccc2O1
InChIInChI=1S/C10H12O3/c1-2-10(11)7-12-8-5-3-4-6-9(8)13-10/h3-6,11H,2,7H2,1H3
InChIKeyFXKFSCRKFRCJKD-UHFFFAOYSA-N
XLogP1.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2H-1,4-benzodioxin-3-ol?
The IUPAC name of 3-ethyl-2H-1,4-benzodioxin-3-ol (CID 13487110) is 3-ethyl-2H-1,4-benzodioxin-3-ol.
What is the SMILES notation for 3-ethyl-2H-1,4-benzodioxin-3-ol?
The canonical SMILES for 3-ethyl-2H-1,4-benzodioxin-3-ol is CCC1(O)COc2ccccc2O1.
What is the InChIKey of 3-ethyl-2H-1,4-benzodioxin-3-ol?
The InChIKey is FXKFSCRKFRCJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-10(11)7-12-8-5-3-4-6-9(8)13-10/h3-6,11H,2,7H2,1H3.
What are the key properties of 3-ethyl-2H-1,4-benzodioxin-3-ol?
3-ethyl-2H-1,4-benzodioxin-3-ol has a molecular weight of 180.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2H-1,4-benzodioxin-3-ol is sourced from PubChem (CID 13487110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).