6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate

C18H24O2 — CID 166377292

IUPAC6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate
SMILESCc1ccc(C(C)C(=O)OCC2CC3CCCC32)cc1
InChIInChI=1S/C18H24O2/c1-12-6-8-14(9-7-12)13(2)18(19)20-11-16-10-15-4-3-5-17(15)16/h6-9,13,15-17H,3-5,10-11H2,1-2H3
InChIKeyCCKSTTBIRSSZDF-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.08
Rot. Bonds4

About 6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate

6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate (PubChem CID 166377292) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate
PubChem CID166377292
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate
SMILESCc1ccc(C(C)C(=O)OCC2CC3CCCC32)cc1
InChIInChI=1S/C18H24O2/c1-12-6-8-14(9-7-12)13(2)18(19)20-11-16-10-15-4-3-5-17(15)16/h6-9,13,15-17H,3-5,10-11H2,1-2H3
InChIKeyCCKSTTBIRSSZDF-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate?
The IUPAC name of 6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate (CID 166377292) is 6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate.
What is the SMILES notation for 6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate?
The canonical SMILES for 6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate is Cc1ccc(C(C)C(=O)OCC2CC3CCCC32)cc1.
What is the InChIKey of 6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate?
The InChIKey is CCKSTTBIRSSZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-12-6-8-14(9-7-12)13(2)18(19)20-11-16-10-15-4-3-5-17(15)16/h6-9,13,15-17H,3-5,10-11H2,1-2H3.
What are the key properties of 6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate?
6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate has a molecular weight of 272.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.2.0]heptanylmethyl 2-(4-methylphenyl)propanoate is sourced from PubChem (CID 166377292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).