methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate

C15H18O2 — CID 22084933

IUPACmethyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(=O)C1(c2ccccc2)C2CCCCC21
InChIInChI=1S/C15H18O2/c1-17-14(16)15(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeyREMMSOMDYQFVHB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.92
Rot. Bonds2

About methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate

methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate (PubChem CID 22084933) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate.

Molecular Properties

Compound Namemethyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate
PubChem CID22084933
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namemethyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(=O)C1(c2ccccc2)C2CCCCC21
InChIInChI=1S/C15H18O2/c1-17-14(16)15(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeyREMMSOMDYQFVHB-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate
CID 102081874
cis-methyl (1R,2S)-2-[(dicyclohexylamino)methyl]-1-phenylcyclopropane-1-carboxylate
CID 101061974
methyl 2-cyclohexa-2,5-dien-1-yl-2-phenylacetate;methyl 7-phenylbicyclo[4.1.0]hept-3-ene-7-carboxylate
CID 158233356
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
methyl (1S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 70100630
dimethyl (1S,2S,4R,5R,6R,8S)-2,4-diphenyl-9,10-diazatetracyclo[3.3.2.02,4.06,8]dec-9-ene-1,5-dicarboxylate
CID 11069454
tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate
CID 14786939
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
5-O-tert-butyl 3-O,7-O-dimethyl (1R,2R,3S,4R,6R,7S)-3,7-diphenyl-5-azatricyclo[4.1.0.02,4]heptane-3,5,7-tricarboxylate
CID 71739896
methyl 2-phenyloxolane-2-carboxylate
CID 164680656

Frequently Asked Questions

What is the IUPAC name of methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate?
The IUPAC name of methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate (CID 22084933) is methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate.
What is the SMILES notation for methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate?
The canonical SMILES for methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate is COC(=O)C1(c2ccccc2)C2CCCCC21.
What is the InChIKey of methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate?
The InChIKey is REMMSOMDYQFVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-17-14(16)15(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15/h2-4,7-8,12-13H,5-6,9-10H2,1H3.
What are the key properties of methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate?
methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate is sourced from PubChem (CID 22084933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).