5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol

C7H6O5 — CID 141347534

IUPAC5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol
SMILESCOc1c(O)cc(O)c2ooc12
InChIInChI=1S/C7H6O5/c1-10-5-3(8)2-4(9)6-7(5)12-11-6/h2,8-9H,1H3
InChIKeyISHHVJGFSPNZIF-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.45
Rot. Bonds1

About 5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol

5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol (PubChem CID 141347534) has the molecular formula C7H6O5 and a molecular weight of 170.12 g/mol. Its IUPAC name is 5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol.

Molecular Properties

Compound Name5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol
PubChem CID141347534
Molecular FormulaC7H6O5
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Name5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol
SMILESCOc1c(O)cc(O)c2ooc12
InChIInChI=1S/C7H6O5/c1-10-5-3(8)2-4(9)6-7(5)12-11-6/h2,8-9H,1H3
InChIKeyISHHVJGFSPNZIF-UHFFFAOYSA-N
XLogP1.45
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
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3-chloro-2,5-dimethoxyphenol
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5-bromo-2,3-dimethoxy-4-methylphenol
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2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-4-oxochromen-3-olate
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CID 70652570

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol?
The IUPAC name of 5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol (CID 141347534) is 5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol.
What is the SMILES notation for 5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol?
The canonical SMILES for 5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol is COc1c(O)cc(O)c2ooc12.
What is the InChIKey of 5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol?
The InChIKey is ISHHVJGFSPNZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5/c1-10-5-3(8)2-4(9)6-7(5)12-11-6/h2,8-9H,1H3.
What are the key properties of 5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol?
5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol has a molecular weight of 170.12 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene-2,4-diol is sourced from PubChem (CID 141347534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).