3,6-dibromo-2,7-dihydroxyfluoren-9-one

C13H6Br2O3 — CID 632850

IUPAC3,6-dibromo-2,7-dihydroxyfluoren-9-one
SMILESO=C1c2cc(O)c(Br)cc2-c2cc(Br)c(O)cc21
InChIInChI=1S/C13H6Br2O3/c14-9-1-5-6-2-10(15)12(17)4-8(6)13(18)7(5)3-11(9)16/h1-4,16-17H
InChIKeyXPDSQJQSMWDMHP-UHFFFAOYSA-N
MW370.00 g/mol
LogP3.83
Rot. Bonds

About 3,6-dibromo-2,7-dihydroxyfluoren-9-one

3,6-dibromo-2,7-dihydroxyfluoren-9-one (PubChem CID 632850) has the molecular formula C13H6Br2O3 and a molecular weight of 370.00 g/mol. Its IUPAC name is 3,6-dibromo-2,7-dihydroxyfluoren-9-one.

Molecular Properties

Compound Name3,6-dibromo-2,7-dihydroxyfluoren-9-one
PubChem CID632850
Molecular FormulaC13H6Br2O3
Molecular Weight370.00 g/mol
Exact Mass367.87
IUPAC Name3,6-dibromo-2,7-dihydroxyfluoren-9-one
SMILESO=C1c2cc(O)c(Br)cc2-c2cc(Br)c(O)cc21
InChIInChI=1S/C13H6Br2O3/c14-9-1-5-6-2-10(15)12(17)4-8(6)13(18)7(5)3-11(9)16/h1-4,16-17H
InChIKeyXPDSQJQSMWDMHP-UHFFFAOYSA-N
XLogP3.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.00
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2,7-dihydroxyfluoren-9-one?
The IUPAC name of 3,6-dibromo-2,7-dihydroxyfluoren-9-one (CID 632850) is 3,6-dibromo-2,7-dihydroxyfluoren-9-one.
What is the SMILES notation for 3,6-dibromo-2,7-dihydroxyfluoren-9-one?
The canonical SMILES for 3,6-dibromo-2,7-dihydroxyfluoren-9-one is O=C1c2cc(O)c(Br)cc2-c2cc(Br)c(O)cc21.
What is the InChIKey of 3,6-dibromo-2,7-dihydroxyfluoren-9-one?
The InChIKey is XPDSQJQSMWDMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2O3/c14-9-1-5-6-2-10(15)12(17)4-8(6)13(18)7(5)3-11(9)16/h1-4,16-17H.
What are the key properties of 3,6-dibromo-2,7-dihydroxyfluoren-9-one?
3,6-dibromo-2,7-dihydroxyfluoren-9-one has a molecular weight of 370.00 g/mol, XLogP of 3.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2,7-dihydroxyfluoren-9-one is sourced from PubChem (CID 632850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).