(12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate

C22H18O5 — CID 134120096

IUPAC(12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate
SMILESCC(=O)Oc1c2c(c(OC(C)=O)c3c1Cc1ccccc1C3=O)CC=CC2
InChIInChI=1S/C22H18O5/c1-12(23)26-21-16-9-5-6-10-17(16)22(27-13(2)24)19-18(21)11-14-7-3-4-8-15(14)20(19)25/h3-8H,9-11H2,1-2H3
InChIKeyGEEBXCDZTFCREF-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.33
Rot. Bonds2

About (12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate

(12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate (PubChem CID 134120096) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is (12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate.

Molecular Properties

Compound Name(12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate
PubChem CID134120096
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name(12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate
SMILESCC(=O)Oc1c2c(c(OC(C)=O)c3c1Cc1ccccc1C3=O)CC=CC2
InChIInChI=1S/C22H18O5/c1-12(23)26-21-16-9-5-6-10-17(16)22(27-13(2)24)19-18(21)11-14-7-3-4-8-15(14)20(19)25/h3-8H,9-11H2,1-2H3
InChIKeyGEEBXCDZTFCREF-UHFFFAOYSA-N
XLogP3.33
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate
CID 15294322
(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406656
(2-methyl-9,10-dioxoanthracen-1-yl) acetate
CID 5146503
1,2,3,4-tetrahydroxy-10H-anthracen-9-one
CID 91457355
[2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate
CID 15078764
10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid
CID 19860324
(3-methyl-1H-inden-2-yl) acetate
CID 101441379
[(2Z)-2-(3-oxo-1H-inden-2-ylidene)ethyl] acetate
CID 14643774
9H-fluorene;methyl acetate
CID 143080534
9H-fluoren-1-yl acetate;propane-1,2-diol
CID 159192832
10H-anthracen-9-one;ethane;methanol
CID 90976205
2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one
CID 100914038

Frequently Asked Questions

What is the IUPAC name of (12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate?
The IUPAC name of (12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate (CID 134120096) is (12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate.
What is the SMILES notation for (12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate?
The canonical SMILES for (12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate is CC(=O)Oc1c2c(c(OC(C)=O)c3c1Cc1ccccc1C3=O)CC=CC2.
What is the InChIKey of (12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate?
The InChIKey is GEEBXCDZTFCREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-12(23)26-21-16-9-5-6-10-17(16)22(27-13(2)24)19-18(21)11-14-7-3-4-8-15(14)20(19)25/h3-8H,9-11H2,1-2H3.
What are the key properties of (12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate?
(12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate has a molecular weight of 362.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate is sourced from PubChem (CID 134120096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).