cyclopenta[g]isochromene

C12H8O — CID 23282440

IUPACcyclopenta[g]isochromene
SMILESc1cc2cc3ccocc3cc2c1
InChIInChI=1S/C12H8O/c1-2-9-6-11-4-5-13-8-12(11)7-10(9)3-1/h1-8H
InChIKeyIYDGMSRMAPNCSD-UHFFFAOYSA-N
MW168.19 g/mol
LogP3.59
Rot. Bonds

About cyclopenta[g]isochromene

cyclopenta[g]isochromene (PubChem CID 23282440) has the molecular formula C12H8O and a molecular weight of 168.19 g/mol. Its IUPAC name is cyclopenta[g]isochromene.

Molecular Properties

Compound Namecyclopenta[g]isochromene
PubChem CID23282440
Molecular FormulaC12H8O
Molecular Weight168.19 g/mol
Exact Mass168.06
IUPAC Namecyclopenta[g]isochromene
SMILESc1cc2cc3ccocc3cc2c1
InChIInChI=1S/C12H8O/c1-2-9-6-11-4-5-13-8-12(11)7-10(9)3-1/h1-8H
InChIKeyIYDGMSRMAPNCSD-UHFFFAOYSA-N
XLogP3.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclopenta[g]isochromene 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 cyclopenta[g]isochromene?
The IUPAC name of cyclopenta[g]isochromene (CID 23282440) is cyclopenta[g]isochromene.
What is the SMILES notation for cyclopenta[g]isochromene?
The canonical SMILES for cyclopenta[g]isochromene is c1cc2cc3ccocc3cc2c1.
What is the InChIKey of cyclopenta[g]isochromene?
The InChIKey is IYDGMSRMAPNCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O/c1-2-9-6-11-4-5-13-8-12(11)7-10(9)3-1/h1-8H.
What are the key properties of cyclopenta[g]isochromene?
cyclopenta[g]isochromene has a molecular weight of 168.19 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[g]isochromene is sourced from PubChem (CID 23282440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).