11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione

C19H16O3 — CID 10565565

IUPAC11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
SMILESCOc1cccc2c1C(=O)c1c(ccc3c1CCCC3)C2=O
InChIInChI=1S/C19H16O3/c1-22-15-8-4-7-13-17(15)19(21)16-12-6-3-2-5-11(12)9-10-14(16)18(13)20/h4,7-10H,2-3,5-6H2,1H3
InChIKeyAMROTDOVVDYICY-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.35
Rot. Bonds1

About 11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione

11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione (PubChem CID 10565565) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione.

Molecular Properties

Compound Name11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
PubChem CID10565565
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
SMILESCOc1cccc2c1C(=O)c1c(ccc3c1CCCC3)C2=O
InChIInChI=1S/C19H16O3/c1-22-15-8-4-7-13-17(15)19(21)16-12-6-3-2-5-11(12)9-10-14(16)18(13)20/h4,7-10H,2-3,5-6H2,1H3
InChIKeyAMROTDOVVDYICY-UHFFFAOYSA-N
XLogP3.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane
CID 123863601
1,5-dimethoxyfluoren-9-one
CID 19594782
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
1,2-dihydrocyclobuta[a]anthracene-5,10-dione
CID 23511070
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
CID 633617
5-methoxy-9,10-dioxoanthracene-2-carboxamide
CID 169240451
(1-hydroxy-8-methoxy-9,10-dioxoanthracen-2-yl) acetate
CID 67569882
1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
CID 11300971
1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione
CID 10086578
5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione
CID 85139008
5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 95931045
11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione
CID 10471228

Frequently Asked Questions

What is the IUPAC name of 11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione?
The IUPAC name of 11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione (CID 10565565) is 11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione.
What is the SMILES notation for 11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione?
The canonical SMILES for 11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione is COc1cccc2c1C(=O)c1c(ccc3c1CCCC3)C2=O.
What is the InChIKey of 11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione?
The InChIKey is AMROTDOVVDYICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-22-15-8-4-7-13-17(15)19(21)16-12-6-3-2-5-11(12)9-10-14(16)18(13)20/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione?
11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione has a molecular weight of 292.33 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione is sourced from PubChem (CID 10565565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).