(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one

C15H15BrO — CID 86328422

IUPAC(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
SMILESCCC[C@H](Br)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15BrO/c1-2-5-14(16)15(17)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14H,2,5H2,1H3/t14-/m0/s1
InChIKeyFFRREEFPTVAIFV-AWEZNQCLSA-N
MW291.19 g/mol
LogP4.59
Rot. Bonds4

About (2S)-2-bromo-1-naphthalen-2-ylpentan-1-one

(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one (PubChem CID 86328422) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is (2S)-2-bromo-1-naphthalen-2-ylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
PubChem CID86328422
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
SMILESCCC[C@H](Br)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15BrO/c1-2-5-14(16)15(17)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14H,2,5H2,1H3/t14-/m0/s1
InChIKeyFFRREEFPTVAIFV-AWEZNQCLSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
CID 124518898
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
CID 117065161
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
methyl 3-[(2R)-2-bromopentanoyl]benzoate
CID 129390441
diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium
CID 6942690
2-propylpentyl naphthalene-2-carboxylate
CID 146351385
2-methoxy-1-naphthalen-2-yltetradecan-1-one
CID 20979765
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one
CID 107891303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-1-naphthalen-2-ylpentan-1-one?
The IUPAC name of (2S)-2-bromo-1-naphthalen-2-ylpentan-1-one (CID 86328422) is (2S)-2-bromo-1-naphthalen-2-ylpentan-1-one.
What is the SMILES notation for (2S)-2-bromo-1-naphthalen-2-ylpentan-1-one?
The canonical SMILES for (2S)-2-bromo-1-naphthalen-2-ylpentan-1-one is CCC[C@H](Br)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-bromo-1-naphthalen-2-ylpentan-1-one?
The InChIKey is FFRREEFPTVAIFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15BrO/c1-2-5-14(16)15(17)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14H,2,5H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-bromo-1-naphthalen-2-ylpentan-1-one?
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one has a molecular weight of 291.19 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-1-naphthalen-2-ylpentan-1-one is sourced from PubChem (CID 86328422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).