3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one

C19H16O3 — CID 86688375

IUPAC3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
SMILESCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O
InChIInChI=1S/C19H16O3/c1-11(20)12-5-6-15-14(7-12)10-22-19-9-16-13(8-17(15)19)3-2-4-18(16)21/h5-9H,2-4,10H2,1H3
InChIKeyHEDVCJIUEKLCCV-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.97
Rot. Bonds1

About 3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one

3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one (PubChem CID 86688375) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one.

Molecular Properties

Compound Name3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
PubChem CID86688375
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
SMILESCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O
InChIInChI=1S/C19H16O3/c1-11(20)12-5-6-15-14(7-12)10-22-19-9-16-13(8-17(15)19)3-2-4-18(16)21/h5-9H,2-4,10H2,1H3
InChIKeyHEDVCJIUEKLCCV-UHFFFAOYSA-N
XLogP3.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one?
The IUPAC name of 3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one (CID 86688375) is 3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one.
What is the SMILES notation for 3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one?
The canonical SMILES for 3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one is CC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O.
What is the InChIKey of 3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one?
The InChIKey is HEDVCJIUEKLCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-11(20)12-5-6-15-14(7-12)10-22-19-9-16-13(8-17(15)19)3-2-4-18(16)21/h5-9H,2-4,10H2,1H3.
What are the key properties of 3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one?
3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one has a molecular weight of 292.33 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one is sourced from PubChem (CID 86688375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).