2,3,4-trimethoxybenzo[8]annulene-5,6-dione

C15H14O5 — CID 71411380

IUPAC2,3,4-trimethoxybenzo[8]annulene-5,6-dione
SMILESCOc1cc2ccccc(=O)c(=O)c2c(OC)c1OC
InChIInChI=1S/C15H14O5/c1-18-11-8-9-6-4-5-7-10(16)13(17)12(9)15(20-3)14(11)19-2/h4-8H,1-3H3/b6-4-,7-5-
InChIKeyVARHDEIIAYNFOZ-PEPZGXQESA-N
MW274.27 g/mol
LogP1.59
Rot. Bonds3

About 2,3,4-trimethoxybenzo[8]annulene-5,6-dione

2,3,4-trimethoxybenzo[8]annulene-5,6-dione (PubChem CID 71411380) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2,3,4-trimethoxybenzo[8]annulene-5,6-dione.

Molecular Properties

Compound Name2,3,4-trimethoxybenzo[8]annulene-5,6-dione
PubChem CID71411380
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name2,3,4-trimethoxybenzo[8]annulene-5,6-dione
SMILESCOc1cc2ccccc(=O)c(=O)c2c(OC)c1OC
InChIInChI=1S/C15H14O5/c1-18-11-8-9-6-4-5-7-10(16)13(17)12(9)15(20-3)14(11)19-2/h4-8H,1-3H3/b6-4-,7-5-
InChIKeyVARHDEIIAYNFOZ-PEPZGXQESA-N
XLogP1.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one
CID 118359993
1,2,3,8-tetramethoxynaphthalene
CID 91328449
6,7,8-trimethoxynaphthalen-1-ol
CID 15073678
5-methoxybenzo[c]phenanthrene
CID 621003
10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one
CID 176586497
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611
8-hydroxy-1,2,3-trimethoxybenzo[a]anthracene-7,12-dione
CID 11175958
1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
5,6,7-trimethoxyphenanthrene-3-carboxylic acid
CID 174758536
5,6,7-trimethoxyphenanthren-2-ol
CID 11997529
5,6,7,8-tetramethoxypentacene-1,2,3,4-tetrone
CID 141185122

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxybenzo[8]annulene-5,6-dione?
The IUPAC name of 2,3,4-trimethoxybenzo[8]annulene-5,6-dione (CID 71411380) is 2,3,4-trimethoxybenzo[8]annulene-5,6-dione.
What is the SMILES notation for 2,3,4-trimethoxybenzo[8]annulene-5,6-dione?
The canonical SMILES for 2,3,4-trimethoxybenzo[8]annulene-5,6-dione is COc1cc2ccccc(=O)c(=O)c2c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxybenzo[8]annulene-5,6-dione?
The InChIKey is VARHDEIIAYNFOZ-PEPZGXQESA-N. The full InChI is InChI=1S/C15H14O5/c1-18-11-8-9-6-4-5-7-10(16)13(17)12(9)15(20-3)14(11)19-2/h4-8H,1-3H3/b6-4-,7-5-.
What are the key properties of 2,3,4-trimethoxybenzo[8]annulene-5,6-dione?
2,3,4-trimethoxybenzo[8]annulene-5,6-dione has a molecular weight of 274.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxybenzo[8]annulene-5,6-dione is sourced from PubChem (CID 71411380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).