7-methoxy-2-propyltetracene-5,12-dione

C22H18O3 — CID 57381514

IUPAC7-methoxy-2-propyltetracene-5,12-dione
SMILESCCCc1ccc2c(c1)C(=O)c1cc3cccc(OC)c3cc1C2=O
InChIInChI=1S/C22H18O3/c1-3-5-13-8-9-15-17(10-13)22(24)18-11-14-6-4-7-20(25-2)16(14)12-19(18)21(15)23/h4,6-12H,3,5H2,1-2H3
InChIKeyXBHNJMNWFZKVNS-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.58
Rot. Bonds3

About 7-methoxy-2-propyltetracene-5,12-dione

7-methoxy-2-propyltetracene-5,12-dione (PubChem CID 57381514) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 7-methoxy-2-propyltetracene-5,12-dione.

Molecular Properties

Compound Name7-methoxy-2-propyltetracene-5,12-dione
PubChem CID57381514
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name7-methoxy-2-propyltetracene-5,12-dione
SMILESCCCc1ccc2c(c1)C(=O)c1cc3cccc(OC)c3cc1C2=O
InChIInChI=1S/C22H18O3/c1-3-5-13-8-9-15-17(10-13)22(24)18-11-14-6-4-7-20(25-2)16(14)12-19(18)21(15)23/h4,6-12H,3,5H2,1-2H3
InChIKeyXBHNJMNWFZKVNS-UHFFFAOYSA-N
XLogP4.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.58
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

Nabumetone
CID 4409
Beta-Naphthoflavone
CID 2361
Adapalene
CID 60164
Alpha-Naphthoflavone
CID 11790
Cra 13
CID 9799417
Menbutone
CID 71818
1,4-Dimethoxyanthraquinone
CID 266054
6-Methoxy-2-naphthaldehyde
CID 76991
8-Hydroxy-1-methoxy-3-methyl-9,10-anthracenedione
CID 13412789
C.I. Vat Green 1
CID 31410
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
8-O-Methyltetrangomycin
CID 10019885

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-propyltetracene-5,12-dione?
The IUPAC name of 7-methoxy-2-propyltetracene-5,12-dione (CID 57381514) is 7-methoxy-2-propyltetracene-5,12-dione.
What is the SMILES notation for 7-methoxy-2-propyltetracene-5,12-dione?
The canonical SMILES for 7-methoxy-2-propyltetracene-5,12-dione is CCCc1ccc2c(c1)C(=O)c1cc3cccc(OC)c3cc1C2=O.
What is the InChIKey of 7-methoxy-2-propyltetracene-5,12-dione?
The InChIKey is XBHNJMNWFZKVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-3-5-13-8-9-15-17(10-13)22(24)18-11-14-6-4-7-20(25-2)16(14)12-19(18)21(15)23/h4,6-12H,3,5H2,1-2H3.
What are the key properties of 7-methoxy-2-propyltetracene-5,12-dione?
7-methoxy-2-propyltetracene-5,12-dione has a molecular weight of 330.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-propyltetracene-5,12-dione is sourced from PubChem (CID 57381514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).