2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid

C15H18O3 — CID 117094897

IUPAC2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OC2CC3CCC2C3)cc1
InChIInChI=1S/C15H18O3/c16-15(17)9-10-2-5-13(6-3-10)18-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14H,1,4,7-9H2,(H,16,17)
InChIKeyIYUHCCVRCGYOCR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.88
Rot. Bonds4

About 2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid

2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid (PubChem CID 117094897) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid
PubChem CID117094897
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OC2CC3CCC2C3)cc1
InChIInChI=1S/C15H18O3/c16-15(17)9-10-2-5-13(6-3-10)18-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14H,1,4,7-9H2,(H,16,17)
InChIKeyIYUHCCVRCGYOCR-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid (CID 117094897) is 2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid is O=C(O)Cc1ccc(OC2CC3CCC2C3)cc1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid?
The InChIKey is IYUHCCVRCGYOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-15(17)9-10-2-5-13(6-3-10)18-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14H,1,4,7-9H2,(H,16,17).
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid?
2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid has a molecular weight of 246.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid is sourced from PubChem (CID 117094897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).