(8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol

C10H10O3 — CID 129390731

IUPAC(8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol
SMILESC/C=C1/Oc2cc(O)c(OC)cc21
InChIInChI=1S/C10H10O3/c1-3-8-6-4-10(12-2)7(11)5-9(6)13-8/h3-5,11H,1-2H3/b8-3+
InChIKeyOYCOXORYVSHYKK-FPYGCLRLSA-N
MW178.19 g/mol
LogP2.15
Rot. Bonds1

About (8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol

(8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol (PubChem CID 129390731) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol.

Molecular Properties

Compound Name(8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol
PubChem CID129390731
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol
SMILESC/C=C1/Oc2cc(O)c(OC)cc21
InChIInChI=1S/C10H10O3/c1-3-8-6-4-10(12-2)7(11)5-9(6)13-8/h3-5,11H,1-2H3/b8-3+
InChIKeyOYCOXORYVSHYKK-FPYGCLRLSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol?
The IUPAC name of (8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol (CID 129390731) is (8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol.
What is the SMILES notation for (8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol?
The canonical SMILES for (8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol is C/C=C1/Oc2cc(O)c(OC)cc21.
What is the InChIKey of (8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol?
The InChIKey is OYCOXORYVSHYKK-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H10O3/c1-3-8-6-4-10(12-2)7(11)5-9(6)13-8/h3-5,11H,1-2H3/b8-3+.
What are the key properties of (8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol?
(8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol has a molecular weight of 178.19 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol is sourced from PubChem (CID 129390731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).