6-methoxyphenalene-1,3-dione

C14H10O3 — CID 22763709

IUPAC6-methoxyphenalene-1,3-dione
SMILESCOc1ccc2c3c(cccc13)C(=O)CC2=O
InChIInChI=1S/C14H10O3/c1-17-13-6-5-9-12(16)7-11(15)8-3-2-4-10(13)14(8)9/h2-6H,7H2,1H3
InChIKeyHNQHJKCPKKRCOY-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.62
Rot. Bonds1

About 6-methoxyphenalene-1,3-dione

6-methoxyphenalene-1,3-dione (PubChem CID 22763709) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-methoxyphenalene-1,3-dione.

Molecular Properties

Compound Name6-methoxyphenalene-1,3-dione
PubChem CID22763709
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name6-methoxyphenalene-1,3-dione
SMILESCOc1ccc2c3c(cccc13)C(=O)CC2=O
InChIInChI=1S/C14H10O3/c1-17-13-6-5-9-12(16)7-11(15)8-3-2-4-10(13)14(8)9/h2-6H,7H2,1H3
InChIKeyHNQHJKCPKKRCOY-UHFFFAOYSA-N
XLogP2.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-butanoyl-6-methoxybenzo[de]isoquinoline-1,3-dione
CID 175451304
4-(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
CID 102004284
6-methoxy-2-(4-methoxy-2-methylphenyl)benzo[de]isoquinoline-1,3-dione
CID 102445374
6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione
CID 11428149
7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10782790
4-methoxy-3-methylideneinden-1-one
CID 14973064
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one
CID 176586497
12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
CID 141002477
7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene
CID 72722587
ethane;hexacyclo[12.6.1.14,7.02,12.017,21.011,22]docosa-1(21),2(12),3,7,9,11(22),13,17,19-nonaene-6,16-dione
CID 145486097
5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
CID 122402189

Frequently Asked Questions

What is the IUPAC name of 6-methoxyphenalene-1,3-dione?
The IUPAC name of 6-methoxyphenalene-1,3-dione (CID 22763709) is 6-methoxyphenalene-1,3-dione.
What is the SMILES notation for 6-methoxyphenalene-1,3-dione?
The canonical SMILES for 6-methoxyphenalene-1,3-dione is COc1ccc2c3c(cccc13)C(=O)CC2=O.
What is the InChIKey of 6-methoxyphenalene-1,3-dione?
The InChIKey is HNQHJKCPKKRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-17-13-6-5-9-12(16)7-11(15)8-3-2-4-10(13)14(8)9/h2-6H,7H2,1H3.
What are the key properties of 6-methoxyphenalene-1,3-dione?
6-methoxyphenalene-1,3-dione has a molecular weight of 226.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyphenalene-1,3-dione is sourced from PubChem (CID 22763709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).