3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

C15H14O4 — CID 134974000

IUPAC3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
SMILESCCC1CC2=C(OC1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H14O4/c1-2-8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)19-15(8)18/h3-6,8,15,18H,2,7H2,1H3
InChIKeyUJLUZSUVZYFOBH-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.08
Rot. Bonds1

About 3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione (PubChem CID 134974000) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
PubChem CID134974000
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
SMILESCCC1CC2=C(OC1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H14O4/c1-2-8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)19-15(8)18/h3-6,8,15,18H,2,7H2,1H3
InChIKeyUJLUZSUVZYFOBH-UHFFFAOYSA-N
XLogP2.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
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 3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The IUPAC name of 3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione (CID 134974000) is 3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione.
What is the SMILES notation for 3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The canonical SMILES for 3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione is CCC1CC2=C(OC1O)C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The InChIKey is UJLUZSUVZYFOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-2-8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)19-15(8)18/h3-6,8,15,18H,2,7H2,1H3.
What are the key properties of 3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione has a molecular weight of 258.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione is sourced from PubChem (CID 134974000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).