1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one

C13H4Br4O2 — CID 146535406

IUPAC1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one
SMILESO=C1c2c(Br)cc(Br)cc2-c2cc(Br)c(O)c(Br)c21
InChIInChI=1S/C13H4Br4O2/c14-4-1-5-6-3-8(16)12(18)11(17)10(6)13(19)9(5)7(15)2-4/h1-3,18H
InChIKeyVJHFKTLWZQTSAZ-UHFFFAOYSA-N
MW511.79 g/mol
LogP5.65
Rot. Bonds

About 1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one

1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one (PubChem CID 146535406) has the molecular formula C13H4Br4O2 and a molecular weight of 511.79 g/mol. Its IUPAC name is 1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one.

Molecular Properties

Compound Name1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one
PubChem CID146535406
Molecular FormulaC13H4Br4O2
Molecular Weight511.79 g/mol
Exact Mass507.69
IUPAC Name1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one
SMILESO=C1c2c(Br)cc(Br)cc2-c2cc(Br)c(O)c(Br)c21
InChIInChI=1S/C13H4Br4O2/c14-4-1-5-6-3-8(16)12(18)11(17)10(6)13(19)9(5)7(15)2-4/h1-3,18H
InChIKeyVJHFKTLWZQTSAZ-UHFFFAOYSA-N
XLogP5.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.79
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one?
The IUPAC name of 1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one (CID 146535406) is 1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one.
What is the SMILES notation for 1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one?
The canonical SMILES for 1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one is O=C1c2c(Br)cc(Br)cc2-c2cc(Br)c(O)c(Br)c21.
What is the InChIKey of 1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one?
The InChIKey is VJHFKTLWZQTSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4Br4O2/c14-4-1-5-6-3-8(16)12(18)11(17)10(6)13(19)9(5)7(15)2-4/h1-3,18H.
What are the key properties of 1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one?
1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one has a molecular weight of 511.79 g/mol, XLogP of 5.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8-tetrabromo-2-hydroxyfluoren-9-one is sourced from PubChem (CID 146535406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).