5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol

C10H12O3 — CID 13067783

IUPAC5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCc1cc(O)c(C)c2c1OCCO2
InChIInChI=1S/C10H12O3/c1-6-5-8(11)7(2)10-9(6)12-3-4-13-10/h5,11H,3-4H2,1-2H3
InChIKeyXJDCNMLLNQCUDC-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.78
Rot. Bonds

About 5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol

5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 13067783) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID13067783
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCc1cc(O)c(C)c2c1OCCO2
InChIInChI=1S/C10H12O3/c1-6-5-8(11)7(2)10-9(6)12-3-4-13-10/h5,11H,3-4H2,1-2H3
InChIKeyXJDCNMLLNQCUDC-UHFFFAOYSA-N
XLogP1.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol (CID 13067783) is 5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol is Cc1cc(O)c(C)c2c1OCCO2.
What is the InChIKey of 5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is XJDCNMLLNQCUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-5-8(11)7(2)10-9(6)12-3-4-13-10/h5,11H,3-4H2,1-2H3.
What are the key properties of 5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol?
5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 180.20 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 13067783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).