9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione

C22H18O5 — CID 14050758

IUPAC9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione
SMILESCOc1c2c(c(OC)c3c1C(=O)c1ccccc1C3=O)CCC(C(C)=O)=C2
InChIInChI=1S/C22H18O5/c1-11(23)12-8-9-15-16(10-12)22(27-3)18-17(21(15)26-2)19(24)13-6-4-5-7-14(13)20(18)25/h4-7,10H,8-9H2,1-3H3
InChIKeyXMDBWTNXZKHLCO-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.40
Rot. Bonds3

About 9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione

9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione (PubChem CID 14050758) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is 9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione.

Molecular Properties

Compound Name9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione
PubChem CID14050758
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione
SMILESCOc1c2c(c(OC)c3c1C(=O)c1ccccc1C3=O)CCC(C(C)=O)=C2
InChIInChI=1S/C22H18O5/c1-11(23)12-8-9-15-16(10-12)22(27-3)18-17(21(15)26-2)19(24)13-6-4-5-7-14(13)20(18)25/h4-7,10H,8-9H2,1-3H3
InChIKeyXMDBWTNXZKHLCO-UHFFFAOYSA-N
XLogP3.40
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.40
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

9-acetyl-9-hydroxy-6,11-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 12819113
(8S)-8-acetyl-11-hydroxy-6-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 142963306
5-acetyl-2,10-dimethoxy-6-oxapentacyclo[9.8.0.03,9.05,7.013,18]nonadeca-1,3(9),10,13,15,17-hexaene-12,19-dione
CID 11199784
5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione
CID 102401480
(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate
CID 15294322
1,2-dimethoxy-3,4-dinitroanthracene-9,10-dione
CID 154085539
1-hydroxy-4-methoxy-3-methyl-2-nitroanthracene-9,10-dione
CID 3919311
diethyl 2-[(1,4-dimethoxy-3-nitro-9,10-dioxoanthracen-2-yl)methyl]propanedioate
CID 102417965
4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione
CID 135461959
dimethyl 9,10-dioxoanthracene-1,4-dicarboxylate
CID 11771669
(1-methoxy-9,10-dioxoanthracen-2-yl)methyl-triphenylphosphanium
CID 51056134
2-(bromomethyl)-3-chloro-1,4-dimethoxyanthracene-9,10-dione
CID 54576987

Frequently Asked Questions

What is the IUPAC name of 9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione?
The IUPAC name of 9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione (CID 14050758) is 9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione.
What is the SMILES notation for 9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione?
The canonical SMILES for 9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione is COc1c2c(c(OC)c3c1C(=O)c1ccccc1C3=O)CCC(C(C)=O)=C2.
What is the InChIKey of 9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione?
The InChIKey is XMDBWTNXZKHLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-11(23)12-8-9-15-16(10-12)22(27-3)18-17(21(15)26-2)19(24)13-6-4-5-7-14(13)20(18)25/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione?
9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione has a molecular weight of 362.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione is sourced from PubChem (CID 14050758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).