tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid

C13H8O2 — CID 142869301

IUPACtricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid
SMILESO=C(O)C1=C2C1=CC=Cc1ccccc12
InChIInChI=1S/C13H8O2/c14-13(15)12-10-7-3-5-8-4-1-2-6-9(8)11(10)12/h1-7H,(H,14,15)
InChIKeyIQYMKDPNLPHLDQ-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.49
Rot. Bonds1

About tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid

tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid (PubChem CID 142869301) has the molecular formula C13H8O2 and a molecular weight of 196.20 g/mol. Its IUPAC name is tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid.

Molecular Properties

Compound Nametricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid
PubChem CID142869301
Molecular FormulaC13H8O2
Molecular Weight196.20 g/mol
Exact Mass196.05
IUPAC Nametricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid
SMILESO=C(O)C1=C2C1=CC=Cc1ccccc12
InChIInChI=1S/C13H8O2/c14-13(15)12-10-7-3-5-8-4-1-2-6-9(8)11(10)12/h1-7H,(H,14,15)
InChIKeyIQYMKDPNLPHLDQ-UHFFFAOYSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-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 tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid?
The IUPAC name of tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid (CID 142869301) is tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid.
What is the SMILES notation for tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid?
The canonical SMILES for tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid is O=C(O)C1=C2C1=CC=Cc1ccccc12.
What is the InChIKey of tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid?
The InChIKey is IQYMKDPNLPHLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c14-13(15)12-10-7-3-5-8-4-1-2-6-9(8)11(10)12/h1-7H,(H,14,15).
What are the key properties of tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid?
tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.4.0.02,4]dodeca-1(12),2,4,6,8,10-hexaene-3-carboxylic acid is sourced from PubChem (CID 142869301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).