9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one

C13H9BrO2 — CID 171477355

IUPAC9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
SMILESO=C1CCc2ccc3cc(O)cc(Br)c3c21
InChIInChI=1S/C13H9BrO2/c14-10-6-9(15)5-8-2-1-7-3-4-11(16)13(7)12(8)10/h1-2,5-6,15H,3-4H2
InChIKeyYJVLSBOKVGOZLA-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.44
Rot. Bonds

About 9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one

9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one (PubChem CID 171477355) has the molecular formula C13H9BrO2 and a molecular weight of 277.12 g/mol. Its IUPAC name is 9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one.

Molecular Properties

Compound Name9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
PubChem CID171477355
Molecular FormulaC13H9BrO2
Molecular Weight277.12 g/mol
Exact Mass275.98
IUPAC Name9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
SMILESO=C1CCc2ccc3cc(O)cc(Br)c3c21
InChIInChI=1S/C13H9BrO2/c14-10-6-9(15)5-8-2-1-7-3-4-11(16)13(7)12(8)10/h1-2,5-6,15H,3-4H2
InChIKeyYJVLSBOKVGOZLA-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The IUPAC name of 9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one (CID 171477355) is 9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one.
What is the SMILES notation for 9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The canonical SMILES for 9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one is O=C1CCc2ccc3cc(O)cc(Br)c3c21.
What is the InChIKey of 9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The InChIKey is YJVLSBOKVGOZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO2/c14-10-6-9(15)5-8-2-1-7-3-4-11(16)13(7)12(8)10/h1-2,5-6,15H,3-4H2.
What are the key properties of 9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one?
9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one has a molecular weight of 277.12 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one is sourced from PubChem (CID 171477355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).