(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride

C11H13ClO2 — CID 51663755

IUPAC(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
SMILESCc1cccc(O[C@@H](C)C(=O)Cl)c1C
InChIInChI=1S/C11H13ClO2/c1-7-5-4-6-10(8(7)2)14-9(3)11(12)13/h4-6,9H,1-3H3/t9-/m0/s1
InChIKeyPNHRNLFAIOSJMU-VIFPVBQESA-N
MW212.68 g/mol
LogP2.84
Rot. Bonds3

About (2S)-2-(2,3-dimethylphenoxy)propanoyl chloride

(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride (PubChem CID 51663755) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)propanoyl chloride.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
PubChem CID51663755
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
SMILESCc1cccc(O[C@@H](C)C(=O)Cl)c1C
InChIInChI=1S/C11H13ClO2/c1-7-5-4-6-10(8(7)2)14-9(3)11(12)13/h4-6,9H,1-3H3/t9-/m0/s1
InChIKeyPNHRNLFAIOSJMU-VIFPVBQESA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(2,3-dimethylphenoxy)propanoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43799802
2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 42904169
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
2-(2,3-dimethoxyphenoxy)propanoyl chloride
CID 82041771
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43908541
bis(2,3-dimethylphenyl) carbonate
CID 23435013
N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43915329

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)propanoyl chloride?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)propanoyl chloride (CID 51663755) is (2S)-2-(2,3-dimethylphenoxy)propanoyl chloride.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)propanoyl chloride?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)propanoyl chloride is Cc1cccc(O[C@@H](C)C(=O)Cl)c1C.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)propanoyl chloride?
The InChIKey is PNHRNLFAIOSJMU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13ClO2/c1-7-5-4-6-10(8(7)2)14-9(3)11(12)13/h4-6,9H,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)propanoyl chloride?
(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride has a molecular weight of 212.68 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)propanoyl chloride is sourced from PubChem (CID 51663755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).