5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione

C19H11FO3 — CID 102401480

IUPAC5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione
SMILESCOc1c2c(c3ccccc3c1F)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H11FO3/c1-23-19-15-14(10-6-2-3-7-11(10)16(19)20)17(21)12-8-4-5-9-13(12)18(15)22/h2-9H,1H3
InChIKeyGBUCFFDFOFJZDQ-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.76
Rot. Bonds1

About 5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione

5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione (PubChem CID 102401480) has the molecular formula C19H11FO3 and a molecular weight of 306.29 g/mol. Its IUPAC name is 5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione.

Molecular Properties

Compound Name5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione
PubChem CID102401480
Molecular FormulaC19H11FO3
Molecular Weight306.29 g/mol
Exact Mass306.07
IUPAC Name5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione
SMILESCOc1c2c(c3ccccc3c1F)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H11FO3/c1-23-19-15-14(10-6-2-3-7-11(10)16(19)20)17(21)12-8-4-5-9-13(12)18(15)22/h2-9H,1H3
InChIKeyGBUCFFDFOFJZDQ-UHFFFAOYSA-N
XLogP3.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.76
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

4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione
CID 135461959
1,2-dimethoxy-3,4-dinitroanthracene-9,10-dione
CID 154085539
2-(bromomethyl)-3-chloro-1,4-dimethoxyanthracene-9,10-dione
CID 54576987
5-methoxybenzo[b]fluoren-11-one
CID 10753817
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
1,2,4,5-tetrafluoro-3-methoxy-6-[2-(trifluoromethylsulfonyl)phenyl]benzene
CID 173335169
9-acetyl-6,11-dimethoxy-7,8-dihydrotetracene-5,12-dione
CID 14050758
2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile
CID 23736483
(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate
CID 15294322
1-methoxy-2-(2-methylpropyl)anthracene-9,10-dione
CID 10613716
1-hydroxy-4-methoxy-3-methyl-2-nitroanthracene-9,10-dione
CID 3919311
6,11-dioxotetracene-5,12-diolate
CID 102258482

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione?
The IUPAC name of 5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione (CID 102401480) is 5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione.
What is the SMILES notation for 5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione?
The canonical SMILES for 5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione is COc1c2c(c3ccccc3c1F)C(=O)c1ccccc1C2=O.
What is the InChIKey of 5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione?
The InChIKey is GBUCFFDFOFJZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FO3/c1-23-19-15-14(10-6-2-3-7-11(10)16(19)20)17(21)12-8-4-5-9-13(12)18(15)22/h2-9H,1H3.
What are the key properties of 5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione?
5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione has a molecular weight of 306.29 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione is sourced from PubChem (CID 102401480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).