2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid

C10H10O4 — CID 54098560

IUPAC2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid
SMILESO=C(O)COc1ccc(O)c2c1CC2
InChIInChI=1S/C10H10O4/c11-8-3-4-9(14-5-10(12)13)7-2-1-6(7)8/h3-4,11H,1-2,5H2,(H,12,13)
InChIKeyBJOSOVADMCTMDM-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.95
Rot. Bonds3

About 2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid

2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid (PubChem CID 54098560) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid
PubChem CID54098560
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid
SMILESO=C(O)COc1ccc(O)c2c1CC2
InChIInChI=1S/C10H10O4/c11-8-3-4-9(14-5-10(12)13)7-2-1-6(7)8/h3-4,11H,1-2,5H2,(H,12,13)
InChIKeyBJOSOVADMCTMDM-UHFFFAOYSA-N
XLogP0.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid?
The IUPAC name of 2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid (CID 54098560) is 2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid.
What is the SMILES notation for 2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid?
The canonical SMILES for 2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid is O=C(O)COc1ccc(O)c2c1CC2.
What is the InChIKey of 2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid?
The InChIKey is BJOSOVADMCTMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-8-3-4-9(14-5-10(12)13)7-2-1-6(7)8/h3-4,11H,1-2,5H2,(H,12,13).
What are the key properties of 2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid?
2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid is sourced from PubChem (CID 54098560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).