2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene

C15H14O4 — CID 67485283

IUPAC2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
SMILESCOc1ccccc1C(=O)O.c1cc2cc(c1)OC2
InChIInChI=1S/C8H8O3.C7H6O/c1-11-7-5-3-2-4-6(7)8(9)10;1-2-6-4-7(3-1)8-5-6/h2-5H,1H3,(H,9,10);1-4H,5H2
InChIKeyAVYTVGAUFLGGAE-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.97
Rot. Bonds2

About 2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene

2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene (PubChem CID 67485283) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene.

Molecular Properties

Compound Name2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
PubChem CID67485283
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
SMILESCOc1ccccc1C(=O)O.c1cc2cc(c1)OC2
InChIInChI=1S/C8H8O3.C7H6O/c1-11-7-5-3-2-4-6(7)8(9)10;1-2-6-4-7(3-1)8-5-6/h2-5H,1H3,(H,9,10);1-4H,5H2
InChIKeyAVYTVGAUFLGGAE-UHFFFAOYSA-N
XLogP2.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The IUPAC name of 2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene (CID 67485283) is 2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene.
What is the SMILES notation for 2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The canonical SMILES for 2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene is COc1ccccc1C(=O)O.c1cc2cc(c1)OC2.
What is the InChIKey of 2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The InChIKey is AVYTVGAUFLGGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C7H6O/c1-11-7-5-3-2-4-6(7)8(9)10;1-2-6-4-7(3-1)8-5-6/h2-5H,1H3,(H,9,10);1-4H,5H2.
What are the key properties of 2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene has a molecular weight of 258.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzoic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene is sourced from PubChem (CID 67485283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).