2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

C16H14O4 — CID 14895323

IUPAC2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
SMILESCC(=O)CC1CCC2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H14O4/c1-9(17)8-10-6-7-13-14(18)11-4-2-3-5-12(11)15(19)16(13)20-10/h2-5,10H,6-8H2,1H3
InChIKeySIUQVPAQCOGFFV-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.48
Rot. Bonds2

About 2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione (PubChem CID 14895323) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione.

Molecular Properties

Compound Name2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
PubChem CID14895323
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
SMILESCC(=O)CC1CCC2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H14O4/c1-9(17)8-10-6-7-13-14(18)11-4-2-3-5-12(11)15(19)16(13)20-10/h2-5,10H,6-8H2,1H3
InChIKeySIUQVPAQCOGFFV-UHFFFAOYSA-N
XLogP2.48
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The IUPAC name of 2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione (CID 14895323) is 2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione.
What is the SMILES notation for 2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The canonical SMILES for 2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione is CC(=O)CC1CCC2=C(O1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The InChIKey is SIUQVPAQCOGFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-9(17)8-10-6-7-13-14(18)11-4-2-3-5-12(11)15(19)16(13)20-10/h2-5,10H,6-8H2,1H3.
What are the key properties of 2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione has a molecular weight of 270.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-5,10-dione is sourced from PubChem (CID 14895323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).