(2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate

C26H24O9 — CID 20563346

IUPAC(2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate
SMILESCOc1ccc(OC)c2c1C(=O)c1c(OC(C)=O)c3c(c(OC(C)=O)c1C2=O)CC(C(C)=O)CC3
InChIInChI=1S/C26H24O9/c1-11(27)14-6-7-15-16(10-14)26(35-13(3)29)22-21(25(15)34-12(2)28)23(30)19-17(32-4)8-9-18(33-5)20(19)24(22)31/h8-9,14H,6-7,10H2,1-5H3
InChIKeyJBZPQNBINASOQI-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.02
Rot. Bonds5

About (2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate

(2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate (PubChem CID 20563346) has the molecular formula C26H24O9 and a molecular weight of 480.47 g/mol. Its IUPAC name is (2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate.

Molecular Properties

Compound Name(2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate
PubChem CID20563346
Molecular FormulaC26H24O9
Molecular Weight480.47 g/mol
Exact Mass480.14
IUPAC Name(2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate
SMILESCOc1ccc(OC)c2c1C(=O)c1c(OC(C)=O)c3c(c(OC(C)=O)c1C2=O)CC(C(C)=O)CC3
InChIInChI=1S/C26H24O9/c1-11(27)14-6-7-15-16(10-14)26(35-13(3)29)22-21(25(15)34-12(2)28)23(30)19-17(32-4)8-9-18(33-5)20(19)24(22)31/h8-9,14H,6-7,10H2,1-5H3
InChIKeyJBZPQNBINASOQI-UHFFFAOYSA-N
XLogP3.02
TPSA122.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate with MolForge

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Related Compounds

(8S)-8-acetyl-11-hydroxy-6-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 142963306
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone
CID 86124271
8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane
CID 145293696
8-acetyl-6,11-dimethoxy-7,8,9,10-tetrahydrobenzo[b]thioxanthen-12-one
CID 23260697
8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 23349623
acetylene;(8S)-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 142985248
6,11-dihydroxy-1-methoxy-8-(piperazine-1-carbonyl)-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 171538463
(2,6-dichloro-3-methoxyphenyl) acetate
CID 57203396
N-(3-aminocyclobutyl)-5,12-dihydroxy-7-methoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracene-2-carboxamide
CID 171538508
1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455
[(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
CID 14681772
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 5073341

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate?
The IUPAC name of (2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate (CID 20563346) is (2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate.
What is the SMILES notation for (2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate?
The canonical SMILES for (2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate is COc1ccc(OC)c2c1C(=O)c1c(OC(C)=O)c3c(c(OC(C)=O)c1C2=O)CC(C(C)=O)CC3.
What is the InChIKey of (2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate?
The InChIKey is JBZPQNBINASOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O9/c1-11(27)14-6-7-15-16(10-14)26(35-13(3)29)22-21(25(15)34-12(2)28)23(30)19-17(32-4)8-9-18(33-5)20(19)24(22)31/h8-9,14H,6-7,10H2,1-5H3.
What are the key properties of (2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate?
(2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate has a molecular weight of 480.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-12-acetyloxy-7,10-dimethoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) acetate is sourced from PubChem (CID 20563346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).