5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde

C14H8O5 — CID 10491256

IUPAC5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde
SMILESCOc1ccc(C=O)c2c1C(=O)c1ccoc1C2=O
InChIInChI=1S/C14H8O5/c1-18-9-3-2-7(6-15)10-11(9)12(16)8-4-5-19-14(8)13(10)17/h2-6H,1H3
InChIKeyZEQKYZUXBDCNQQ-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.88
Rot. Bonds2

About 5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde

5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde (PubChem CID 10491256) has the molecular formula C14H8O5 and a molecular weight of 256.21 g/mol. Its IUPAC name is 5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde
PubChem CID10491256
Molecular FormulaC14H8O5
Molecular Weight256.21 g/mol
Exact Mass256.04
IUPAC Name5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde
SMILESCOc1ccc(C=O)c2c1C(=O)c1ccoc1C2=O
InChIInChI=1S/C14H8O5/c1-18-9-3-2-7(6-15)10-11(9)12(16)8-4-5-19-14(8)13(10)17/h2-6H,1H3
InChIKeyZEQKYZUXBDCNQQ-UHFFFAOYSA-N
XLogP1.88
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,8-dihydroxy-4-methoxy-9,10-dioxoanthracene-1-carbaldehyde
CID 139659317
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
5,8-dimethoxy-3-trimethylsilylbenzo[f][2]benzofuran-4,9-dione
CID 102374461
3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde
CID 106888428
2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
CID 116810900
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
2-(4-methoxyphenyl)furan-3-carbaldehyde
CID 86258825
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455
3-amino-4-methoxy-2-methylbenzaldehyde
CID 150747577

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde?
The IUPAC name of 5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde (CID 10491256) is 5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde.
What is the SMILES notation for 5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde?
The canonical SMILES for 5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde is COc1ccc(C=O)c2c1C(=O)c1ccoc1C2=O.
What is the InChIKey of 5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde?
The InChIKey is ZEQKYZUXBDCNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5/c1-18-9-3-2-7(6-15)10-11(9)12(16)8-4-5-19-14(8)13(10)17/h2-6H,1H3.
What are the key properties of 5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde?
5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde has a molecular weight of 256.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,9-dioxobenzo[f][1]benzofuran-8-carbaldehyde is sourced from PubChem (CID 10491256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).