2-bromotetracene-5,12-dione

C18H9BrO2 — CID 15745128

IUPAC2-bromotetracene-5,12-dione
SMILESO=C1c2ccc(Br)cc2C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C18H9BrO2/c19-12-5-6-13-16(9-12)18(21)15-8-11-4-2-1-3-10(11)7-14(15)17(13)20/h1-9H
InChIKeyUQWIXDNKROJOFI-UHFFFAOYSA-N
MW337.17 g/mol
LogP4.38
Rot. Bonds

About 2-bromotetracene-5,12-dione

2-bromotetracene-5,12-dione (PubChem CID 15745128) has the molecular formula C18H9BrO2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-bromotetracene-5,12-dione.

Molecular Properties

Compound Name2-bromotetracene-5,12-dione
PubChem CID15745128
Molecular FormulaC18H9BrO2
Molecular Weight337.17 g/mol
Exact Mass335.98
IUPAC Name2-bromotetracene-5,12-dione
SMILESO=C1c2ccc(Br)cc2C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C18H9BrO2/c19-12-5-6-13-16(9-12)18(21)15-8-11-4-2-1-3-10(11)7-14(15)17(13)20/h1-9H
InChIKeyUQWIXDNKROJOFI-UHFFFAOYSA-N
XLogP4.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromotetracene-5,12-dione?
The IUPAC name of 2-bromotetracene-5,12-dione (CID 15745128) is 2-bromotetracene-5,12-dione.
What is the SMILES notation for 2-bromotetracene-5,12-dione?
The canonical SMILES for 2-bromotetracene-5,12-dione is O=C1c2ccc(Br)cc2C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2-bromotetracene-5,12-dione?
The InChIKey is UQWIXDNKROJOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrO2/c19-12-5-6-13-16(9-12)18(21)15-8-11-4-2-1-3-10(11)7-14(15)17(13)20/h1-9H.
What are the key properties of 2-bromotetracene-5,12-dione?
2-bromotetracene-5,12-dione has a molecular weight of 337.17 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromotetracene-5,12-dione is sourced from PubChem (CID 15745128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).