3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline

C22H19NO3 — CID 158058505

IUPAC3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline
SMILESC1=Cc2ccc3c(c2CO1)OCC3.c1cc2ccc3c(c2cn1)OCC3
InChIInChI=1S/C11H9NO.C11H10O2/c2*1-2-9-4-6-13-11(9)10-7-12-5-3-8(1)10/h1-3,5,7H,4,6H2;1-3,5H,4,6-7H2
InChIKeyFKJAPRLMDQKLBO-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.29
Rot. Bonds

About 3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline

3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline (PubChem CID 158058505) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline.

Molecular Properties

Compound Name3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline
PubChem CID158058505
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline
SMILESC1=Cc2ccc3c(c2CO1)OCC3.c1cc2ccc3c(c2cn1)OCC3
InChIInChI=1S/C11H9NO.C11H10O2/c2*1-2-9-4-6-13-11(9)10-7-12-5-3-8(1)10/h1-3,5,7H,4,6H2;1-3,5H,4,6-7H2
InChIKeyFKJAPRLMDQKLBO-UHFFFAOYSA-N
XLogP4.29
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline?
The IUPAC name of 3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline (CID 158058505) is 3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline.
What is the SMILES notation for 3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline?
The canonical SMILES for 3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline is C1=Cc2ccc3c(c2CO1)OCC3.c1cc2ccc3c(c2cn1)OCC3.
What is the InChIKey of 3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline?
The InChIKey is FKJAPRLMDQKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.C11H10O2/c2*1-2-9-4-6-13-11(9)10-7-12-5-3-8(1)10/h1-3,5,7H,4,6H2;1-3,5H,4,6-7H2.
What are the key properties of 3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline?
3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline has a molecular weight of 345.40 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline is sourced from PubChem (CID 158058505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).