(2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one

C17H14Br2O — CID 6995220

IUPAC(2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CC[C@]1(Br)[C@@H](Br)c1ccccc1
InChIInChI=1S/C17H14Br2O/c18-15(13-7-2-1-3-8-13)17(19)11-10-12-6-4-5-9-14(12)16(17)20/h1-9,15H,10-11H2/t15-,17-/m0/s1
InChIKeyIXNZDXYMRGOCOZ-RDJZCZTQSA-N
MW394.11 g/mol
LogP5.09
Rot. Bonds2

About (2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one

(2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one (PubChem CID 6995220) has the molecular formula C17H14Br2O and a molecular weight of 394.11 g/mol. Its IUPAC name is (2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one
PubChem CID6995220
Molecular FormulaC17H14Br2O
Molecular Weight394.11 g/mol
Exact Mass391.94
IUPAC Name(2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CC[C@]1(Br)[C@@H](Br)c1ccccc1
InChIInChI=1S/C17H14Br2O/c18-15(13-7-2-1-3-8-13)17(19)11-10-12-6-4-5-9-14(12)16(17)20/h1-9,15H,10-11H2/t15-,17-/m0/s1
InChIKeyIXNZDXYMRGOCOZ-RDJZCZTQSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.11
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one (CID 6995220) is (2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one is O=C1c2ccccc2CC[C@]1(Br)[C@@H](Br)c1ccccc1.
What is the InChIKey of (2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one?
The InChIKey is IXNZDXYMRGOCOZ-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H14Br2O/c18-15(13-7-2-1-3-8-13)17(19)11-10-12-6-4-5-9-14(12)16(17)20/h1-9,15H,10-11H2/t15-,17-/m0/s1.
What are the key properties of (2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one?
(2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one has a molecular weight of 394.11 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 6995220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).