methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate

C22H16O4 — CID 10759860

IUPACmethyl 2-ethyl-6,11-dioxotetracene-1-carboxylate
SMILESCCc1ccc2cc3c(cc2c1C(=O)OC)C(=O)c1ccccc1C3=O
InChIInChI=1S/C22H16O4/c1-3-12-8-9-13-10-17-18(11-16(13)19(12)22(25)26-2)21(24)15-7-5-4-6-14(15)20(17)23/h4-11H,3H2,1-2H3
InChIKeyPLQFSUAHQWCAFR-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.96
Rot. Bonds2

About methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate

methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate (PubChem CID 10759860) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-6,11-dioxotetracene-1-carboxylate
PubChem CID10759860
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Namemethyl 2-ethyl-6,11-dioxotetracene-1-carboxylate
SMILESCCc1ccc2cc3c(cc2c1C(=O)OC)C(=O)c1ccccc1C3=O
InChIInChI=1S/C22H16O4/c1-3-12-8-9-13-10-17-18(11-16(13)19(12)22(25)26-2)21(24)15-7-5-4-6-14(15)20(17)23/h4-11H,3H2,1-2H3
InChIKeyPLQFSUAHQWCAFR-UHFFFAOYSA-N
XLogP3.96
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.96
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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Related Compounds

methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate
CID 680481
benzo[a]tetracene-8,13-dione
CID 628034
methyl 2-(2-methylpropyl)naphthalene-1-carboxylate
CID 141020633
ethyl 3-bromo-6,11-dioxotetracene-5-carboxylate
CID 11327304
methyl 2-[(2-hydroxyphenyl)methyl]naphthalene-1-carboxylate
CID 15483504
ethyl 11-oxobenzo[b]fluorene-10-carboxylate
CID 10946575
5-methoxybenzo[b]fluoren-11-one
CID 10753817
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
1,3-diethylanthracene-9,10-dione
CID 22321054
dimethyl picene-13,14-dicarboxylate
CID 101053496
anthracene-9,10-dione;propane
CID 162068050

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate?
The IUPAC name of methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate (CID 10759860) is methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate.
What is the SMILES notation for methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate?
The canonical SMILES for methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate is CCc1ccc2cc3c(cc2c1C(=O)OC)C(=O)c1ccccc1C3=O.
What is the InChIKey of methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate?
The InChIKey is PLQFSUAHQWCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c1-3-12-8-9-13-10-17-18(11-16(13)19(12)22(25)26-2)21(24)15-7-5-4-6-14(15)20(17)23/h4-11H,3H2,1-2H3.
What are the key properties of methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate?
methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-6,11-dioxotetracene-1-carboxylate is sourced from PubChem (CID 10759860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).