8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione

C16H14O4 — CID 24824608

IUPAC8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione
SMILESCOc1ccc2c(c1)C(=O)C1=C(C=CC(C)(C)O1)C2=O
InChIInChI=1S/C16H14O4/c1-16(2)7-6-11-13(17)10-5-4-9(19-3)8-12(10)14(18)15(11)20-16/h4-8H,1-3H3
InChIKeyKQTMGUXETRTTJB-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.69
Rot. Bonds1

About 8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione

8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione (PubChem CID 24824608) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione.

Molecular Properties

Compound Name8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione
PubChem CID24824608
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione
SMILESCOc1ccc2c(c1)C(=O)C1=C(C=CC(C)(C)O1)C2=O
InChIInChI=1S/C16H14O4/c1-16(2)7-6-11-13(17)10-5-4-9(19-3)8-12(10)14(18)15(11)20-16/h4-8H,1-3H3
InChIKeyKQTMGUXETRTTJB-UHFFFAOYSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.69
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 8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione?
The IUPAC name of 8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione (CID 24824608) is 8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione.
What is the SMILES notation for 8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione?
The canonical SMILES for 8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione is COc1ccc2c(c1)C(=O)C1=C(C=CC(C)(C)O1)C2=O.
What is the InChIKey of 8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione?
The InChIKey is KQTMGUXETRTTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-16(2)7-6-11-13(17)10-5-4-9(19-3)8-12(10)14(18)15(11)20-16/h4-8H,1-3H3.
What are the key properties of 8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione?
8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione has a molecular weight of 270.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione is sourced from PubChem (CID 24824608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).