3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid

C14H8Br2O3 — CID 99966184

IUPAC3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid
SMILESO=C(O)C1(O)c2ccc(Br)cc2-c2cc(Br)ccc21
InChIInChI=1S/C14H8Br2O3/c15-7-1-3-11-9(5-7)10-6-8(16)2-4-12(10)14(11,19)13(17)18/h1-6,19H,(H,17,18)
InChIKeyCQJLHEBCFFOGRN-UHFFFAOYSA-N
MW384.02 g/mol
LogP3.51
Rot. Bonds1

About 3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid

3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid (PubChem CID 99966184) has the molecular formula C14H8Br2O3 and a molecular weight of 384.02 g/mol. Its IUPAC name is 3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid.

Molecular Properties

Compound Name3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid
PubChem CID99966184
Molecular FormulaC14H8Br2O3
Molecular Weight384.02 g/mol
Exact Mass381.88
IUPAC Name3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid
SMILESO=C(O)C1(O)c2ccc(Br)cc2-c2cc(Br)ccc21
InChIInChI=1S/C14H8Br2O3/c15-7-1-3-11-9(5-7)10-6-8(16)2-4-12(10)14(11,19)13(17)18/h1-6,19H,(H,17,18)
InChIKeyCQJLHEBCFFOGRN-UHFFFAOYSA-N
XLogP3.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.02
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid?
The IUPAC name of 3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid (CID 99966184) is 3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid.
What is the SMILES notation for 3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid?
The canonical SMILES for 3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid is O=C(O)C1(O)c2ccc(Br)cc2-c2cc(Br)ccc21.
What is the InChIKey of 3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid?
The InChIKey is CQJLHEBCFFOGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2O3/c15-7-1-3-11-9(5-7)10-6-8(16)2-4-12(10)14(11,19)13(17)18/h1-6,19H,(H,17,18).
What are the key properties of 3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid?
3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid has a molecular weight of 384.02 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-hydroxyfluorene-9-carboxylic acid is sourced from PubChem (CID 99966184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).