4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid

C15H16O2 — CID 21484415

IUPAC4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid
SMILESO=C(O)C1=Cc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C15H16O2/c16-15(17)14-9-12-7-6-11(8-13(12)14)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,16,17)
InChIKeyTZDRKHJEFROVHK-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.67
Rot. Bonds2

About 4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid

4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid (PubChem CID 21484415) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid
PubChem CID21484415
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid
SMILESO=C(O)C1=Cc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C15H16O2/c16-15(17)14-9-12-7-6-11(8-13(12)14)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,16,17)
InChIKeyTZDRKHJEFROVHK-UHFFFAOYSA-N
XLogP3.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid?
The IUPAC name of 4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid (CID 21484415) is 4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid.
What is the SMILES notation for 4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid?
The canonical SMILES for 4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid is O=C(O)C1=Cc2ccc(C3CCCCC3)cc21.
What is the InChIKey of 4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid?
The InChIKey is TZDRKHJEFROVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c16-15(17)14-9-12-7-6-11(8-13(12)14)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,16,17).
What are the key properties of 4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid?
4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid is sourced from PubChem (CID 21484415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).