(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane

C14H18O2 — CID 18556056

IUPAC(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
SMILESCOc1ccccc1O[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H18O2/c1-15-12-4-2-3-5-13(12)16-14-9-10-6-7-11(14)8-10/h2-5,10-11,14H,6-9H2,1H3/t10-,11-,14-/m1/s1
InChIKeyQAQGJZCQRVHRFG-JTNHKYCSSA-N
MW218.30 g/mol
LogP3.26
Rot. Bonds3

About (1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane

(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane (PubChem CID 18556056) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
PubChem CID18556056
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
SMILESCOc1ccccc1O[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H18O2/c1-15-12-4-2-3-5-13(12)16-14-9-10-6-7-11(14)8-10/h2-5,10-11,14H,6-9H2,1H3/t10-,11-,14-/m1/s1
InChIKeyQAQGJZCQRVHRFG-JTNHKYCSSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
CID 117053875
1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone
CID 117051795
3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 14010156
3-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 129362758
[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
CID 152547672
[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine
CID 114245403
3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzoyl chloride
CID 10016547
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine
CID 114245396
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol
CID 114245584
2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane
CID 114245608
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenoxy]methyl]prop-2-en-1-amine
CID 19378868
[2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine
CID 114245408

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane (CID 18556056) is (1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane is COc1ccccc1O[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane?
The InChIKey is QAQGJZCQRVHRFG-JTNHKYCSSA-N. The full InChI is InChI=1S/C14H18O2/c1-15-12-4-2-3-5-13(12)16-14-9-10-6-7-11(14)8-10/h2-5,10-11,14H,6-9H2,1H3/t10-,11-,14-/m1/s1.
What are the key properties of (1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane?
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane has a molecular weight of 218.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane is sourced from PubChem (CID 18556056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).