methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate

C17H20O3 — CID 14087815

IUPACmethyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate
SMILESCOC(=O)CC1C2C=C(OCc3ccccc3)CCC21
InChIInChI=1S/C17H20O3/c1-19-17(18)10-16-14-8-7-13(9-15(14)16)20-11-12-5-3-2-4-6-12/h2-6,9,14-16H,7-8,10-11H2,1H3
InChIKeyUVINBQOYXMKEEA-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.31
Rot. Bonds5

About methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate

methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate (PubChem CID 14087815) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate
PubChem CID14087815
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Namemethyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate
SMILESCOC(=O)CC1C2C=C(OCc3ccccc3)CCC21
InChIInChI=1S/C17H20O3/c1-19-17(18)10-16-14-8-7-13(9-15(14)16)20-11-12-5-3-2-4-6-12/h2-6,9,14-16H,7-8,10-11H2,1H3
InChIKeyUVINBQOYXMKEEA-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate?
The IUPAC name of methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate (CID 14087815) is methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate.
What is the SMILES notation for methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate?
The canonical SMILES for methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate is COC(=O)CC1C2C=C(OCc3ccccc3)CCC21.
What is the InChIKey of methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate?
The InChIKey is UVINBQOYXMKEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-19-17(18)10-16-14-8-7-13(9-15(14)16)20-11-12-5-3-2-4-6-12/h2-6,9,14-16H,7-8,10-11H2,1H3.
What are the key properties of methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate?
methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate has a molecular weight of 272.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenylmethoxy-7-bicyclo[4.1.0]hept-2-enyl)acetate is sourced from PubChem (CID 14087815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).