1-(dibromomethyl)anthracene-9,10-dione

C15H8Br2O2 — CID 13270884

IUPAC1-(dibromomethyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2C(Br)Br
InChIInChI=1S/C15H8Br2O2/c16-15(17)11-7-3-6-10-12(11)14(19)9-5-2-1-4-8(9)13(10)18/h1-7,15H
InChIKeyUGFOAHLZPRDWGH-UHFFFAOYSA-N
MW380.04 g/mol
LogP4.25
Rot. Bonds1

About 1-(dibromomethyl)anthracene-9,10-dione

1-(dibromomethyl)anthracene-9,10-dione (PubChem CID 13270884) has the molecular formula C15H8Br2O2 and a molecular weight of 380.04 g/mol. Its IUPAC name is 1-(dibromomethyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(dibromomethyl)anthracene-9,10-dione
PubChem CID13270884
Molecular FormulaC15H8Br2O2
Molecular Weight380.04 g/mol
Exact Mass377.89
IUPAC Name1-(dibromomethyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cccc2C(Br)Br
InChIInChI=1S/C15H8Br2O2/c16-15(17)11-7-3-6-10-12(11)14(19)9-5-2-1-4-8(9)13(10)18/h1-7,15H
InChIKeyUGFOAHLZPRDWGH-UHFFFAOYSA-N
XLogP4.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dibromomethyl)anthracene-9,10-dione?
The IUPAC name of 1-(dibromomethyl)anthracene-9,10-dione (CID 13270884) is 1-(dibromomethyl)anthracene-9,10-dione.
What is the SMILES notation for 1-(dibromomethyl)anthracene-9,10-dione?
The canonical SMILES for 1-(dibromomethyl)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c1cccc2C(Br)Br.
What is the InChIKey of 1-(dibromomethyl)anthracene-9,10-dione?
The InChIKey is UGFOAHLZPRDWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2O2/c16-15(17)11-7-3-6-10-12(11)14(19)9-5-2-1-4-8(9)13(10)18/h1-7,15H.
What are the key properties of 1-(dibromomethyl)anthracene-9,10-dione?
1-(dibromomethyl)anthracene-9,10-dione has a molecular weight of 380.04 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethyl)anthracene-9,10-dione is sourced from PubChem (CID 13270884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).