5-bromo-2-hydroxyphenalen-1-one

C13H7BrO2 — CID 166453648

IUPAC5-bromo-2-hydroxyphenalen-1-one
SMILESO=C1C(O)=Cc2cc(Br)cc3cccc1c23
InChIInChI=1S/C13H7BrO2/c14-9-4-7-2-1-3-10-12(7)8(5-9)6-11(15)13(10)16/h1-6,15H
InChIKeyNIAHHNHNABSINK-UHFFFAOYSA-N
MW275.10 g/mol
LogP3.70
Rot. Bonds

About 5-bromo-2-hydroxyphenalen-1-one

5-bromo-2-hydroxyphenalen-1-one (PubChem CID 166453648) has the molecular formula C13H7BrO2 and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-bromo-2-hydroxyphenalen-1-one.

Molecular Properties

Compound Name5-bromo-2-hydroxyphenalen-1-one
PubChem CID166453648
Molecular FormulaC13H7BrO2
Molecular Weight275.10 g/mol
Exact Mass273.96
IUPAC Name5-bromo-2-hydroxyphenalen-1-one
SMILESO=C1C(O)=Cc2cc(Br)cc3cccc1c23
InChIInChI=1S/C13H7BrO2/c14-9-4-7-2-1-3-10-12(7)8(5-9)6-11(15)13(10)16/h1-6,15H
InChIKeyNIAHHNHNABSINK-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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Related Compounds

8-bromo-2-hydroxyphenalen-1-one
CID 166453557
5-(1,3-benzodioxol-5-yl)-2-hydroxyphenalen-1-one
CID 166453632
2-hydroxy-8-(4-hydroxyphenyl)phenalen-1-one
CID 5324481
3,8-dibromonaphthalen-1-ol
CID 142668001
9-bromobenzo[a]phenalen-7-one
CID 118565290
2-hydroxybenzo[b]phenalen-7-one
CID 11242034
6-bromo-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one
CID 121217756
2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
CID 166453560
bis(2-hydroxyethyl)-[(1-oxophenalen-2-yl)methyl]azanium
CID 140633638
2-bromo-7-oxobenzo[a]phenalene-1-carboxylic acid
CID 154092987
2-aminophenalen-1-one
CID 13013288
2-methylphenalen-1-one
CID 15695099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxyphenalen-1-one?
The IUPAC name of 5-bromo-2-hydroxyphenalen-1-one (CID 166453648) is 5-bromo-2-hydroxyphenalen-1-one.
What is the SMILES notation for 5-bromo-2-hydroxyphenalen-1-one?
The canonical SMILES for 5-bromo-2-hydroxyphenalen-1-one is O=C1C(O)=Cc2cc(Br)cc3cccc1c23.
What is the InChIKey of 5-bromo-2-hydroxyphenalen-1-one?
The InChIKey is NIAHHNHNABSINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrO2/c14-9-4-7-2-1-3-10-12(7)8(5-9)6-11(15)13(10)16/h1-6,15H.
What are the key properties of 5-bromo-2-hydroxyphenalen-1-one?
5-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 5-bromo-2-hydroxyphenalen-1-one is sourced from PubChem (CID 166453648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).