(2S)-2-naphthalen-1-yloxypropanoyl chloride

C13H11ClO2 — CID 51980355

IUPAC(2S)-2-naphthalen-1-yloxypropanoyl chloride
SMILESC[C@H](Oc1cccc2ccccc12)C(=O)Cl
InChIInChI=1S/C13H11ClO2/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3/t9-/m0/s1
InChIKeyRURKHEGTHHTXJT-VIFPVBQESA-N
MW234.68 g/mol
LogP3.37
Rot. Bonds3

About (2S)-2-naphthalen-1-yloxypropanoyl chloride

(2S)-2-naphthalen-1-yloxypropanoyl chloride (PubChem CID 51980355) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is (2S)-2-naphthalen-1-yloxypropanoyl chloride.

Molecular Properties

Compound Name(2S)-2-naphthalen-1-yloxypropanoyl chloride
PubChem CID51980355
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name(2S)-2-naphthalen-1-yloxypropanoyl chloride
SMILESC[C@H](Oc1cccc2ccccc12)C(=O)Cl
InChIInChI=1S/C13H11ClO2/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3/t9-/m0/s1
InChIKeyRURKHEGTHHTXJT-VIFPVBQESA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
2-(2,3-dimethoxyphenoxy)propanoyl chloride
CID 82041771
2-naphthalen-1-yloxypropan-1-ol
CID 13259427
(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755
[2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate
CID 11834503
methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate
CID 119049617
(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28569351
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-1-yloxypropanamide
CID 98055966
2-naphthalen-1-yloxy-N-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)propanamide
CID 4993403
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633959
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633960

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-1-yloxypropanoyl chloride?
The IUPAC name of (2S)-2-naphthalen-1-yloxypropanoyl chloride (CID 51980355) is (2S)-2-naphthalen-1-yloxypropanoyl chloride.
What is the SMILES notation for (2S)-2-naphthalen-1-yloxypropanoyl chloride?
The canonical SMILES for (2S)-2-naphthalen-1-yloxypropanoyl chloride is C[C@H](Oc1cccc2ccccc12)C(=O)Cl.
What is the InChIKey of (2S)-2-naphthalen-1-yloxypropanoyl chloride?
The InChIKey is RURKHEGTHHTXJT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H11ClO2/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-naphthalen-1-yloxypropanoyl chloride?
(2S)-2-naphthalen-1-yloxypropanoyl chloride has a molecular weight of 234.68 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-1-yloxypropanoyl chloride is sourced from PubChem (CID 51980355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).