4-methoxybenzo[b]oxanthrene-6,11-dione

C17H10O5 — CID 14811969

IUPAC4-methoxybenzo[b]oxanthrene-6,11-dione
SMILESCOc1cccc2oc3c(=O)c4ccccc4c(=O)c=3oc12
InChIInChI=1S/C17H10O5/c1-20-11-7-4-8-12-15(11)22-17-14(19)10-6-3-2-5-9(10)13(18)16(17)21-12/h2-8H,1H3
InChIKeyWMJFVPUQGFLYNG-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.63
Rot. Bonds1

About 4-methoxybenzo[b]oxanthrene-6,11-dione

4-methoxybenzo[b]oxanthrene-6,11-dione (PubChem CID 14811969) has the molecular formula C17H10O5 and a molecular weight of 294.26 g/mol. Its IUPAC name is 4-methoxybenzo[b]oxanthrene-6,11-dione.

Molecular Properties

Compound Name4-methoxybenzo[b]oxanthrene-6,11-dione
PubChem CID14811969
Molecular FormulaC17H10O5
Molecular Weight294.26 g/mol
Exact Mass294.05
IUPAC Name4-methoxybenzo[b]oxanthrene-6,11-dione
SMILESCOc1cccc2oc3c(=O)c4ccccc4c(=O)c=3oc12
InChIInChI=1S/C17H10O5/c1-20-11-7-4-8-12-15(11)22-17-14(19)10-6-3-2-5-9(10)13(18)16(17)21-12/h2-8H,1H3
InChIKeyWMJFVPUQGFLYNG-UHFFFAOYSA-N
XLogP2.63
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 135193701
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CID 676169
3,4-dichloro-8-methoxychromen-2-one
CID 12521868
2-tert-butyl-5-methoxyxanthen-9-one
CID 164685848
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
3,4,5-trimethoxychromen-2-one
CID 19930053
1-ethenyl-4-methoxyxanthen-9-one
CID 11391100
4-hydroxy-1-methoxyxanthen-9-one
CID 162982875
3-fluoro-8-methoxy-4-methylchromen-2-one
CID 164597480
1-ethyl-4-methoxydibenzofuran
CID 91030787
4-methoxy-1,3-benzoxathiol-2-one
CID 12563343

Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzo[b]oxanthrene-6,11-dione?
The IUPAC name of 4-methoxybenzo[b]oxanthrene-6,11-dione (CID 14811969) is 4-methoxybenzo[b]oxanthrene-6,11-dione.
What is the SMILES notation for 4-methoxybenzo[b]oxanthrene-6,11-dione?
The canonical SMILES for 4-methoxybenzo[b]oxanthrene-6,11-dione is COc1cccc2oc3c(=O)c4ccccc4c(=O)c=3oc12.
What is the InChIKey of 4-methoxybenzo[b]oxanthrene-6,11-dione?
The InChIKey is WMJFVPUQGFLYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O5/c1-20-11-7-4-8-12-15(11)22-17-14(19)10-6-3-2-5-9(10)13(18)16(17)21-12/h2-8H,1H3.
What are the key properties of 4-methoxybenzo[b]oxanthrene-6,11-dione?
4-methoxybenzo[b]oxanthrene-6,11-dione has a molecular weight of 294.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzo[b]oxanthrene-6,11-dione is sourced from PubChem (CID 14811969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).