3-(1H-isochromen-3-yl)-1H-isochromene

C18H14O2 — CID 173011945

IUPAC3-(1H-isochromen-3-yl)-1H-isochromene
SMILESC1=C(C2=Cc3ccccc3CO2)OCc2ccccc21
InChIInChI=1S/C18H14O2/c1-3-7-15-11-19-17(9-13(15)5-1)18-10-14-6-2-4-8-16(14)12-20-18/h1-10H,11-12H2
InChIKeyHXVPAFHGXAHDIV-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.13
Rot. Bonds1

About 3-(1H-isochromen-3-yl)-1H-isochromene

3-(1H-isochromen-3-yl)-1H-isochromene (PubChem CID 173011945) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(1H-isochromen-3-yl)-1H-isochromene.

Molecular Properties

Compound Name3-(1H-isochromen-3-yl)-1H-isochromene
PubChem CID173011945
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name3-(1H-isochromen-3-yl)-1H-isochromene
SMILESC1=C(C2=Cc3ccccc3CO2)OCc2ccccc21
InChIInChI=1S/C18H14O2/c1-3-7-15-11-19-17(9-13(15)5-1)18-10-14-6-2-4-8-16(14)12-20-18/h1-10H,11-12H2
InChIKeyHXVPAFHGXAHDIV-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-isochromen-3-yl)-1H-isochromene?
The IUPAC name of 3-(1H-isochromen-3-yl)-1H-isochromene (CID 173011945) is 3-(1H-isochromen-3-yl)-1H-isochromene.
What is the SMILES notation for 3-(1H-isochromen-3-yl)-1H-isochromene?
The canonical SMILES for 3-(1H-isochromen-3-yl)-1H-isochromene is C1=C(C2=Cc3ccccc3CO2)OCc2ccccc21.
What is the InChIKey of 3-(1H-isochromen-3-yl)-1H-isochromene?
The InChIKey is HXVPAFHGXAHDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-3-7-15-11-19-17(9-13(15)5-1)18-10-14-6-2-4-8-16(14)12-20-18/h1-10H,11-12H2.
What are the key properties of 3-(1H-isochromen-3-yl)-1H-isochromene?
3-(1H-isochromen-3-yl)-1H-isochromene has a molecular weight of 262.31 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-isochromen-3-yl)-1H-isochromene is sourced from PubChem (CID 173011945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).