5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid

C15H17ClO3 — CID 106500780

IUPAC5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid
SMILESO=C(O)c1cc(OCC2CC3CCC2C3)ccc1Cl
InChIInChI=1S/C15H17ClO3/c16-14-4-3-12(7-13(14)15(17)18)19-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,17,18)
InChIKeyQWSBXVYTFSLBBF-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.85
Rot. Bonds4

About 5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid

5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid (PubChem CID 106500780) has the molecular formula C15H17ClO3 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid
PubChem CID106500780
Molecular FormulaC15H17ClO3
Molecular Weight280.75 g/mol
Exact Mass280.09
IUPAC Name5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid
SMILESO=C(O)c1cc(OCC2CC3CCC2C3)ccc1Cl
InChIInChI=1S/C15H17ClO3/c16-14-4-3-12(7-13(14)15(17)18)19-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,17,18)
InChIKeyQWSBXVYTFSLBBF-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid (CID 106500780) is 5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid is O=C(O)c1cc(OCC2CC3CCC2C3)ccc1Cl.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid?
The InChIKey is QWSBXVYTFSLBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO3/c16-14-4-3-12(7-13(14)15(17)18)19-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,17,18).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid?
5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid has a molecular weight of 280.75 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid is sourced from PubChem (CID 106500780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).