methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate

C17H22O3 — CID 134907445

IUPACmethyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate
SMILESCOC(=O)C1[C@@]2(c3ccccc3)CCCCC[C@@]12OC
InChIInChI=1S/C17H22O3/c1-19-15(18)14-16(13-9-5-3-6-10-13)11-7-4-8-12-17(14,16)20-2/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3/t14?,16-,17+/m0/s1
InChIKeyDODKIHAQMKOIGL-MWSTZMHHSA-N
MW274.36 g/mol
LogP3.08
Rot. Bonds3

About methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate

methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate (PubChem CID 134907445) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate.

Molecular Properties

Compound Namemethyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate
PubChem CID134907445
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Namemethyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate
SMILESCOC(=O)C1[C@@]2(c3ccccc3)CCCCC[C@@]12OC
InChIInChI=1S/C17H22O3/c1-19-15(18)14-16(13-9-5-3-6-10-13)11-7-4-8-12-17(14,16)20-2/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3/t14?,16-,17+/m0/s1
InChIKeyDODKIHAQMKOIGL-MWSTZMHHSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate with MolForge

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Related Compounds

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methyl (2S)-1-benzoyl-1-azaspiro[4.6]undecane-2-carboxylate
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methyl (1R,2S,4S)-2-hydroxy-4-methyl-4-phenylcyclohexane-1-carboxylate
CID 98169124
methyl (2R)-2-phenyloxolane-2-carboxylate
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cyclohexyl 1-phenylcyclohexane-1-carboxylate
CID 54206862
methyl 2-phenyloxolane-2-carboxylate
CID 164680656
methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
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methyl 5-methyl-2-oxo-5-phenylcyclohexane-1-carboxylate
CID 15701403

Frequently Asked Questions

What is the IUPAC name of methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate?
The IUPAC name of methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate (CID 134907445) is methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate.
What is the SMILES notation for methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate?
The canonical SMILES for methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate is COC(=O)C1[C@@]2(c3ccccc3)CCCCC[C@@]12OC.
What is the InChIKey of methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate?
The InChIKey is DODKIHAQMKOIGL-MWSTZMHHSA-N. The full InChI is InChI=1S/C17H22O3/c1-19-15(18)14-16(13-9-5-3-6-10-13)11-7-4-8-12-17(14,16)20-2/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3/t14?,16-,17+/m0/s1.
What are the key properties of methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate?
methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate is sourced from PubChem (CID 134907445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).