8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione

C14H14O4 — CID 12007639

IUPAC8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione
SMILESCOC1=CC(=O)C2=C(COC3=C2CCCC3)C1=O
InChIInChI=1S/C14H14O4/c1-17-12-6-10(15)13-8-4-2-3-5-11(8)18-7-9(13)14(12)16/h6H,2-5,7H2,1H3
InChIKeySBTDMZWUVSURKW-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.82
Rot. Bonds1

About 8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione

8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione (PubChem CID 12007639) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione.

Molecular Properties

Compound Name8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione
PubChem CID12007639
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione
SMILESCOC1=CC(=O)C2=C(COC3=C2CCCC3)C1=O
InChIInChI=1S/C14H14O4/c1-17-12-6-10(15)13-8-4-2-3-5-11(8)18-7-9(13)14(12)16/h6H,2-5,7H2,1H3
InChIKeySBTDMZWUVSURKW-UHFFFAOYSA-N
XLogP1.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione?
The IUPAC name of 8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione (CID 12007639) is 8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione.
What is the SMILES notation for 8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione?
The canonical SMILES for 8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione is COC1=CC(=O)C2=C(COC3=C2CCCC3)C1=O.
What is the InChIKey of 8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione?
The InChIKey is SBTDMZWUVSURKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-17-12-6-10(15)13-8-4-2-3-5-11(8)18-7-9(13)14(12)16/h6H,2-5,7H2,1H3.
What are the key properties of 8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione?
8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione has a molecular weight of 246.26 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3,4,6-tetrahydro-1H-benzo[c]chromene-7,10-dione is sourced from PubChem (CID 12007639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).