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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Related Compounds

[3-[[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methyl]-2-pyridinyl] hydrogen carbonate
CID 118915457
5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid
CID 114245371
(1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol
CID 114245585
(1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
CID 114245427
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] benzoate
CID 11593734
1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine
CID 114245402
ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 146183495
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid
CID 117094928
2-(4-carbamoyloxyphenyl)acetic acid
CID 54293995
2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
CID 114246098
4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid
CID 114245708

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).