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

C14H15ClO3 — CID 114245371

IUPAC5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid
SMILESO=C(O)c1cc(OC2CC3CCC2C3)ccc1Cl
InChIInChI=1S/C14H15ClO3/c15-12-4-3-10(7-11(12)14(16)17)18-13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H,16,17)
InChIKeyFQSFBZISMDRCID-UHFFFAOYSA-N
MW266.72 g/mol
LogP3.61
Rot. Bonds3

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

5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid (PubChem CID 114245371) has the molecular formula C14H15ClO3 and a molecular weight of 266.72 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid
PubChem CID114245371
Molecular FormulaC14H15ClO3
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid
SMILESO=C(O)c1cc(OC2CC3CCC2C3)ccc1Cl
InChIInChI=1S/C14H15ClO3/c15-12-4-3-10(7-11(12)14(16)17)18-13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H,16,17)
InChIKeyFQSFBZISMDRCID-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid (CID 114245371) is 5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid is O=C(O)c1cc(OC2CC3CCC2C3)ccc1Cl.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid?
The InChIKey is FQSFBZISMDRCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3/c15-12-4-3-10(7-11(12)14(16)17)18-13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H,16,17).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid?
5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid has a molecular weight of 266.72 g/mol, XLogP of 3.61, 3 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]heptanyloxy)-2-chlorobenzoic acid is sourced from PubChem (CID 114245371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).