2,6-dibromo-9,10-dimethylanthracene-9,10-diol

C16H14Br2O2 — CID 59766462

IUPAC2,6-dibromo-9,10-dimethylanthracene-9,10-diol
SMILESCC1(O)c2ccc(Br)cc2C(C)(O)c2ccc(Br)cc21
InChIInChI=1S/C16H14Br2O2/c1-15(19)11-5-3-10(18)8-14(11)16(2,20)12-6-4-9(17)7-13(12)15/h3-8,19-20H,1-2H3
InChIKeyFQBOGUGIHGMQNE-UHFFFAOYSA-N
MW398.09 g/mol
LogP4.04
Rot. Bonds

About 2,6-dibromo-9,10-dimethylanthracene-9,10-diol

2,6-dibromo-9,10-dimethylanthracene-9,10-diol (PubChem CID 59766462) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is 2,6-dibromo-9,10-dimethylanthracene-9,10-diol.

Molecular Properties

Compound Name2,6-dibromo-9,10-dimethylanthracene-9,10-diol
PubChem CID59766462
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name2,6-dibromo-9,10-dimethylanthracene-9,10-diol
SMILESCC1(O)c2ccc(Br)cc2C(C)(O)c2ccc(Br)cc21
InChIInChI=1S/C16H14Br2O2/c1-15(19)11-5-3-10(18)8-14(11)16(2,20)12-6-4-9(17)7-13(12)15/h3-8,19-20H,1-2H3
InChIKeyFQBOGUGIHGMQNE-UHFFFAOYSA-N
XLogP4.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.09
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-9,10-dimethylanthracene-9,10-diol?
The IUPAC name of 2,6-dibromo-9,10-dimethylanthracene-9,10-diol (CID 59766462) is 2,6-dibromo-9,10-dimethylanthracene-9,10-diol.
What is the SMILES notation for 2,6-dibromo-9,10-dimethylanthracene-9,10-diol?
The canonical SMILES for 2,6-dibromo-9,10-dimethylanthracene-9,10-diol is CC1(O)c2ccc(Br)cc2C(C)(O)c2ccc(Br)cc21.
What is the InChIKey of 2,6-dibromo-9,10-dimethylanthracene-9,10-diol?
The InChIKey is FQBOGUGIHGMQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2/c1-15(19)11-5-3-10(18)8-14(11)16(2,20)12-6-4-9(17)7-13(12)15/h3-8,19-20H,1-2H3.
What are the key properties of 2,6-dibromo-9,10-dimethylanthracene-9,10-diol?
2,6-dibromo-9,10-dimethylanthracene-9,10-diol has a molecular weight of 398.09 g/mol, XLogP of 4.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-9,10-dimethylanthracene-9,10-diol is sourced from PubChem (CID 59766462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).