5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol

C7H6O3 — CID 141274767

IUPAC5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol
SMILESCc1ccc(O)c2ooc12
InChIInChI=1S/C7H6O3/c1-4-2-3-5(8)7-6(4)9-10-7/h2-3,8H,1H3
InChIKeyVPDIRMYLYXSWEL-UHFFFAOYSA-N
MW138.12 g/mol
LogP2.04
Rot. Bonds

About 5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol

5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol (PubChem CID 141274767) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is 5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol
PubChem CID141274767
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Name5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol
SMILESCc1ccc(O)c2ooc12
InChIInChI=1S/C7H6O3/c1-4-2-3-5(8)7-6(4)9-10-7/h2-3,8H,1H3
InChIKeyVPDIRMYLYXSWEL-UHFFFAOYSA-N
XLogP2.04
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol?
The IUPAC name of 5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol (CID 141274767) is 5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol.
What is the SMILES notation for 5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol?
The canonical SMILES for 5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol is Cc1ccc(O)c2ooc12.
What is the InChIKey of 5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol?
The InChIKey is VPDIRMYLYXSWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3/c1-4-2-3-5(8)7-6(4)9-10-7/h2-3,8H,1H3.
What are the key properties of 5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol?
5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol has a molecular weight of 138.12 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol is sourced from PubChem (CID 141274767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).