2-methyl-11-phenoxytetracene-5,12-dione

C25H16O3 — CID 101421338

IUPAC2-methyl-11-phenoxytetracene-5,12-dione
SMILESCc1ccc2c(c1)C(=O)c1c(cc3ccccc3c1Oc1ccccc1)C2=O
InChIInChI=1S/C25H16O3/c1-15-11-12-19-20(13-15)24(27)22-21(23(19)26)14-16-7-5-6-10-18(16)25(22)28-17-8-3-2-4-9-17/h2-14H,1H3
InChIKeyCNTRRVKEQKJNSZ-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.72
Rot. Bonds2

About 2-methyl-11-phenoxytetracene-5,12-dione

2-methyl-11-phenoxytetracene-5,12-dione (PubChem CID 101421338) has the molecular formula C25H16O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-methyl-11-phenoxytetracene-5,12-dione.

Molecular Properties

Compound Name2-methyl-11-phenoxytetracene-5,12-dione
PubChem CID101421338
Molecular FormulaC25H16O3
Molecular Weight364.40 g/mol
Exact Mass364.11
IUPAC Name2-methyl-11-phenoxytetracene-5,12-dione
SMILESCc1ccc2c(c1)C(=O)c1c(cc3ccccc3c1Oc1ccccc1)C2=O
InChIInChI=1S/C25H16O3/c1-15-11-12-19-20(13-15)24(27)22-21(23(19)26)14-16-7-5-6-10-18(16)25(22)28-17-8-3-2-4-9-17/h2-14H,1H3
InChIKeyCNTRRVKEQKJNSZ-UHFFFAOYSA-N
XLogP5.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.72
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-11-phenoxytetracene-5,12-dione?
The IUPAC name of 2-methyl-11-phenoxytetracene-5,12-dione (CID 101421338) is 2-methyl-11-phenoxytetracene-5,12-dione.
What is the SMILES notation for 2-methyl-11-phenoxytetracene-5,12-dione?
The canonical SMILES for 2-methyl-11-phenoxytetracene-5,12-dione is Cc1ccc2c(c1)C(=O)c1c(cc3ccccc3c1Oc1ccccc1)C2=O.
What is the InChIKey of 2-methyl-11-phenoxytetracene-5,12-dione?
The InChIKey is CNTRRVKEQKJNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O3/c1-15-11-12-19-20(13-15)24(27)22-21(23(19)26)14-16-7-5-6-10-18(16)25(22)28-17-8-3-2-4-9-17/h2-14H,1H3.
What are the key properties of 2-methyl-11-phenoxytetracene-5,12-dione?
2-methyl-11-phenoxytetracene-5,12-dione has a molecular weight of 364.40 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-11-phenoxytetracene-5,12-dione is sourced from PubChem (CID 101421338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).