(2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one

C10H9BrO2 — CID 93493266

IUPAC(2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(Br)cc2CC[C@H]1O
InChIInChI=1S/C10H9BrO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h2-3,5,9,12H,1,4H2/t9-/m1/s1
InChIKeyCTUWDHRJTDLLHR-SECBINFHSA-N
MW241.08 g/mol
LogP1.94
Rot. Bonds

About (2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one

(2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 93493266) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is (2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID93493266
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name(2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(Br)cc2CC[C@H]1O
InChIInChI=1S/C10H9BrO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h2-3,5,9,12H,1,4H2/t9-/m1/s1
InChIKeyCTUWDHRJTDLLHR-SECBINFHSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-5-bromo-2-hydroxy-2,3-dihydroinden-1-one
CID 58687126
CID 89410212
CID 89410212
CID 158113717
CID 158113717
5-bromo-2,3-dihydroinden-1-one
CID 161015201
7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 105484321
8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one
CID 57023756
methyl 6-bromo-3-oxo-1,2-dihydroindene-2-carboxylate
CID 23158180
2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
CID 70541252
3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione
CID 174277389
(2R)-7-bromo-2-tert-butyl-3,4-dihydro-2H-naphthalen-1-one
CID 124565300
6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 158814676
5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one
CID 71427499

Frequently Asked Questions

What is the IUPAC name of (2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one (CID 93493266) is (2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(Br)cc2CC[C@H]1O.
What is the InChIKey of (2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is CTUWDHRJTDLLHR-SECBINFHSA-N. The full InChI is InChI=1S/C10H9BrO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h2-3,5,9,12H,1,4H2/t9-/m1/s1.
What are the key properties of (2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
(2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 241.08 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 93493266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).