methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate

C15H18O3 — CID 117053875

IUPACmethyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
SMILESCOC(=O)c1ccccc1OC1CC2CCC1C2
InChIInChI=1S/C15H18O3/c1-17-15(16)12-4-2-3-5-13(12)18-14-9-10-6-7-11(14)8-10/h2-5,10-11,14H,6-9H2,1H3
InChIKeyQKZKNZIYJBKQDU-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.04
Rot. Bonds3

About methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate

methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate (PubChem CID 117053875) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
PubChem CID117053875
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Namemethyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
SMILESCOC(=O)c1ccccc1OC1CC2CCC1C2
InChIInChI=1S/C15H18O3/c1-17-15(16)12-4-2-3-5-13(12)18-14-9-10-6-7-11(14)8-10/h2-5,10-11,14H,6-9H2,1H3
InChIKeyQKZKNZIYJBKQDU-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone
CID 117051795
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
methyl 2-cyclohexyloxybenzoate
CID 11345342
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine
CID 114245396
methyl 2-(4-hydroxycyclohexyl)oxybenzoate
CID 117053868
3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzoyl chloride
CID 10016547
methyl 2-(thian-4-yloxy)benzoate
CID 117053874
methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate
CID 117053862
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol
CID 114245584
[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
CID 152547672
methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate
CID 86322513
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] benzoate
CID 11593734

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate?
The IUPAC name of methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate (CID 117053875) is methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate.
What is the SMILES notation for methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate?
The canonical SMILES for methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate is COC(=O)c1ccccc1OC1CC2CCC1C2.
What is the InChIKey of methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate?
The InChIKey is QKZKNZIYJBKQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-17-15(16)12-4-2-3-5-13(12)18-14-9-10-6-7-11(14)8-10/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate?
methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate has a molecular weight of 246.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate is sourced from PubChem (CID 117053875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).