methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate

C15H16O2 — CID 178096692

IUPACmethyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate
SMILESCOC(=O)C12CCC3(c4ccccc4)CC13C2
InChIInChI=1S/C15H16O2/c1-17-12(16)14-8-7-13(9-15(13,14)10-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyIELZYLMUDKKYGA-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.67
Rot. Bonds2

About methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate

methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate (PubChem CID 178096692) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate
PubChem CID178096692
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Namemethyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate
SMILESCOC(=O)C12CCC3(c4ccccc4)CC13C2
InChIInChI=1S/C15H16O2/c1-17-12(16)14-8-7-13(9-15(13,14)10-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyIELZYLMUDKKYGA-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 11-(hydroxymethyl)-5-phenyltetracyclo[5.3.1.03,9.05,9]undecane-3-carboxylate
CID 162754487
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
17-methoxycarbonylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16-carboxylic acid
CID 11152606
methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate
CID 67524594
methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate
CID 137234398
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
methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate
CID 164584289
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
methyl (2R)-2-phenyloxolane-2-carboxylate
CID 167251855

Frequently Asked Questions

What is the IUPAC name of methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate?
The IUPAC name of methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate (CID 178096692) is methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate.
What is the SMILES notation for methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate?
The canonical SMILES for methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate is COC(=O)C12CCC3(c4ccccc4)CC13C2.
What is the InChIKey of methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate?
The InChIKey is IELZYLMUDKKYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-17-12(16)14-8-7-13(9-15(13,14)10-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate?
methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate is sourced from PubChem (CID 178096692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).