(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate

C15H14O4 — CID 2789355

IUPAC(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
SMILESCC(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3
InChIInChI=1S/C15H14O4/c1-8-13(18-9(2)16)7-6-11-10-4-3-5-12(10)15(17)19-14(8)11/h6-7H,3-5H2,1-2H3
InChIKeyMBMWUMLOUGHXEY-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.52
Rot. Bonds1

About (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate

(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate (PubChem CID 2789355) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate.

Molecular Properties

Compound Name(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
PubChem CID2789355
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
SMILESCC(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3
InChIInChI=1S/C15H14O4/c1-8-13(18-9(2)16)7-6-11-10-4-3-5-12(10)15(17)19-14(8)11/h6-7H,3-5H2,1-2H3
InChIKeyMBMWUMLOUGHXEY-UHFFFAOYSA-N
XLogP2.52
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate?
The IUPAC name of (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate (CID 2789355) is (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate.
What is the SMILES notation for (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate?
The canonical SMILES for (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate is CC(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3.
What is the InChIKey of (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate?
The InChIKey is MBMWUMLOUGHXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-8-13(18-9(2)16)7-6-11-10-4-3-5-12(10)15(17)19-14(8)11/h6-7H,3-5H2,1-2H3.
What are the key properties of (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate?
(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate has a molecular weight of 258.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate is sourced from PubChem (CID 2789355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).