[(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate

C19H20O3 — CID 124713886

IUPAC[(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate
SMILESC[C@]12CC[C@@H]1C[C@H]2OC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C19H20O3/c1-19-9-8-15(19)11-17(19)22-18(20)12-21-16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10,15,17H,8-9,11-12H2,1H3/t15-,17-,19+/m1/s1
InChIKeyHPGCVSXJEMUUBG-SUMDDJOVSA-N
MW296.37 g/mol
LogP3.95
Rot. Bonds4

About [(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate

[(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate (PubChem CID 124713886) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate
PubChem CID124713886
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name[(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate
SMILESC[C@]12CC[C@@H]1C[C@H]2OC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C19H20O3/c1-19-9-8-15(19)11-17(19)22-18(20)12-21-16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10,15,17H,8-9,11-12H2,1H3/t15-,17-,19+/m1/s1
InChIKeyHPGCVSXJEMUUBG-SUMDDJOVSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate (CID 124713886) is [(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate is C[C@]12CC[C@@H]1C[C@H]2OC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of [(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is HPGCVSXJEMUUBG-SUMDDJOVSA-N. The full InChI is InChI=1S/C19H20O3/c1-19-9-8-15(19)11-17(19)22-18(20)12-21-16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10,15,17H,8-9,11-12H2,1H3/t15-,17-,19+/m1/s1.
What are the key properties of [(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate?
[(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 296.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-1-methyl-2-bicyclo[2.2.0]hexanyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 124713886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).