6-methoxyanthracene-1,4-dione

C15H10O3 — CID 70804223

IUPAC6-methoxyanthracene-1,4-dione
SMILESCOc1ccc2cc3c(cc2c1)C(=O)C=CC3=O
InChIInChI=1S/C15H10O3/c1-18-11-3-2-9-7-12-13(8-10(9)6-11)15(17)5-4-14(12)16/h2-8H,1H3
InChIKeyLLXRQEMLMJDRGK-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.78
Rot. Bonds1

About 6-methoxyanthracene-1,4-dione

6-methoxyanthracene-1,4-dione (PubChem CID 70804223) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 6-methoxyanthracene-1,4-dione.

Molecular Properties

Compound Name6-methoxyanthracene-1,4-dione
PubChem CID70804223
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name6-methoxyanthracene-1,4-dione
SMILESCOc1ccc2cc3c(cc2c1)C(=O)C=CC3=O
InChIInChI=1S/C15H10O3/c1-18-11-3-2-9-7-12-13(8-10(9)6-11)15(17)5-4-14(12)16/h2-8H,1H3
InChIKeyLLXRQEMLMJDRGK-UHFFFAOYSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.78
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-methoxy-1H-benzo[f][2]benzofuran-3-one
CID 132515747
2-hydroperoxy-7-methoxynaphthalene
CID 142950271
17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one
CID 11243834
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
6-(hydroxymethyl)anthracene-1,4-dione;propane
CID 143165069
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
1-diazo-6-methoxynaphthalen-2-one
CID 142730318
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620
2-methoxy-6-[(6-methoxynaphthalen-2-yl)-methylphosphoryl]naphthalene
CID 10595674

Frequently Asked Questions

What is the IUPAC name of 6-methoxyanthracene-1,4-dione?
The IUPAC name of 6-methoxyanthracene-1,4-dione (CID 70804223) is 6-methoxyanthracene-1,4-dione.
What is the SMILES notation for 6-methoxyanthracene-1,4-dione?
The canonical SMILES for 6-methoxyanthracene-1,4-dione is COc1ccc2cc3c(cc2c1)C(=O)C=CC3=O.
What is the InChIKey of 6-methoxyanthracene-1,4-dione?
The InChIKey is LLXRQEMLMJDRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c1-18-11-3-2-9-7-12-13(8-10(9)6-11)15(17)5-4-14(12)16/h2-8H,1H3.
What are the key properties of 6-methoxyanthracene-1,4-dione?
6-methoxyanthracene-1,4-dione has a molecular weight of 238.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyanthracene-1,4-dione is sourced from PubChem (CID 70804223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).