8-bromo-2-hydroxyphenalen-1-one

C13H7BrO2 — CID 166453557

IUPAC8-bromo-2-hydroxyphenalen-1-one
SMILESO=C1C(O)=Cc2cccc3cc(Br)cc1c23
InChIInChI=1S/C13H7BrO2/c14-9-4-7-2-1-3-8-5-11(15)13(16)10(6-9)12(7)8/h1-6,15H
InChIKeyFMTURZUQKJWNSM-UHFFFAOYSA-N
MW275.10 g/mol
LogP3.70
Rot. Bonds

About 8-bromo-2-hydroxyphenalen-1-one

8-bromo-2-hydroxyphenalen-1-one (PubChem CID 166453557) has the molecular formula C13H7BrO2 and a molecular weight of 275.10 g/mol. Its IUPAC name is 8-bromo-2-hydroxyphenalen-1-one.

Molecular Properties

Compound Name8-bromo-2-hydroxyphenalen-1-one
PubChem CID166453557
Molecular FormulaC13H7BrO2
Molecular Weight275.10 g/mol
Exact Mass273.96
IUPAC Name8-bromo-2-hydroxyphenalen-1-one
SMILESO=C1C(O)=Cc2cccc3cc(Br)cc1c23
InChIInChI=1S/C13H7BrO2/c14-9-4-7-2-1-3-8-5-11(15)13(16)10(6-9)12(7)8/h1-6,15H
InChIKeyFMTURZUQKJWNSM-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-hydroxyphenalen-1-one?
The IUPAC name of 8-bromo-2-hydroxyphenalen-1-one (CID 166453557) is 8-bromo-2-hydroxyphenalen-1-one.
What is the SMILES notation for 8-bromo-2-hydroxyphenalen-1-one?
The canonical SMILES for 8-bromo-2-hydroxyphenalen-1-one is O=C1C(O)=Cc2cccc3cc(Br)cc1c23.
What is the InChIKey of 8-bromo-2-hydroxyphenalen-1-one?
The InChIKey is FMTURZUQKJWNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrO2/c14-9-4-7-2-1-3-8-5-11(15)13(16)10(6-9)12(7)8/h1-6,15H.
What are the key properties of 8-bromo-2-hydroxyphenalen-1-one?
8-bromo-2-hydroxyphenalen-1-one has a molecular weight of 275.10 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-hydroxyphenalen-1-one is sourced from PubChem (CID 166453557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).