(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one

C13H11ClO — CID 93494503

IUPAC(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
SMILESC[C@@H](Cl)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H11ClO/c1-9(14)13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3/t9-/m1/s1
InChIKeyAJLOJLVEADHPJX-SECBINFHSA-N
MW218.68 g/mol
LogP3.65
Rot. Bonds2

About (2R)-2-chloro-1-naphthalen-2-ylpropan-1-one

(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one (PubChem CID 93494503) has the molecular formula C13H11ClO and a molecular weight of 218.68 g/mol. Its IUPAC name is (2R)-2-chloro-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
PubChem CID93494503
Molecular FormulaC13H11ClO
Molecular Weight218.68 g/mol
Exact Mass218.05
IUPAC Name(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
SMILESC[C@@H](Cl)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H11ClO/c1-9(14)13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3/t9-/m1/s1
InChIKeyAJLOJLVEADHPJX-SECBINFHSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 53.65
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

(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176
(2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
CID 781909
diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium
CID 6942690
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315
2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 116553536
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
2-naphthalen-2-yl-2-oxoethane-1,1-disulfonic acid
CID 87145295
3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one
CID 116923574

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of (2R)-2-chloro-1-naphthalen-2-ylpropan-1-one (CID 93494503) is (2R)-2-chloro-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for (2R)-2-chloro-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for (2R)-2-chloro-1-naphthalen-2-ylpropan-1-one is C[C@@H](Cl)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-chloro-1-naphthalen-2-ylpropan-1-one?
The InChIKey is AJLOJLVEADHPJX-SECBINFHSA-N. The full InChI is InChI=1S/C13H11ClO/c1-9(14)13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-chloro-1-naphthalen-2-ylpropan-1-one?
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one has a molecular weight of 218.68 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 93494503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).