5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one

C10H9BrO2 — CID 131392956

IUPAC5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(Br)ccc(O)c2C1
InChIInChI=1S/C10H9BrO2/c11-9-3-4-10(13)8-5-6(12)1-2-7(8)9/h3-4,13H,1-2,5H2
InChIKeyIVZDAUWXSIDCNE-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.21
Rot. Bonds

About 5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one

5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 131392956) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID131392956
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(Br)ccc(O)c2C1
InChIInChI=1S/C10H9BrO2/c11-9-3-4-10(13)8-5-6(12)1-2-7(8)9/h3-4,13H,1-2,5H2
InChIKeyIVZDAUWXSIDCNE-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one
CID 131343889
7-bromo-4-hydroxy-2,3-dihydroinden-1-one
CID 20545961
6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131399948
4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one
CID 71082807
5-bromo-3-hydroxybicyclo[4.2.0]octa-1,3,5-triene-2-carbaldehyde
CID 146267179
4-bromo-7-hydroxy-2-methyl-3H-isoindol-1-one
CID 68660902
8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride
CID 159949584
7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131542137
(1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol
CID 130647724
8-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 62705257
6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131343881
4-bromo-5,6,7,8-tetrahydronaphthalen-1-ol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 161483252

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one (CID 131392956) is 5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2c(Br)ccc(O)c2C1.
What is the InChIKey of 5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is IVZDAUWXSIDCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c11-9-3-4-10(13)8-5-6(12)1-2-7(8)9/h3-4,13H,1-2,5H2.
What are the key properties of 5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 241.08 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 131392956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).