(2R)-2-(2-methylphenoxy)butanoyl chloride

C11H13ClO2 — CID 51980370

IUPAC(2R)-2-(2-methylphenoxy)butanoyl chloride
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Cl
InChIInChI=1S/C11H13ClO2/c1-3-9(11(12)13)14-10-7-5-4-6-8(10)2/h4-7,9H,3H2,1-2H3/t9-/m1/s1
InChIKeyOVNWMXIRUZIBQQ-SECBINFHSA-N
MW212.68 g/mol
LogP2.92
Rot. Bonds4

About (2R)-2-(2-methylphenoxy)butanoyl chloride

(2R)-2-(2-methylphenoxy)butanoyl chloride (PubChem CID 51980370) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)butanoyl chloride.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)butanoyl chloride
PubChem CID51980370
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name(2R)-2-(2-methylphenoxy)butanoyl chloride
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Cl
InChIInChI=1S/C11H13ClO2/c1-3-9(11(12)13)14-10-7-5-4-6-8(10)2/h4-7,9H,3H2,1-2H3/t9-/m1/s1
InChIKeyOVNWMXIRUZIBQQ-SECBINFHSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.92
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

ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
N,N-dibenzyl-2-(2-methylphenoxy)butanamide
CID 43916295
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 93488066
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
CID 119351050
2-(2-methylphenoxy)-1-[4-[2-(2-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 4981254
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
CID 4932039
(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
CID 92686201

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)butanoyl chloride?
The IUPAC name of (2R)-2-(2-methylphenoxy)butanoyl chloride (CID 51980370) is (2R)-2-(2-methylphenoxy)butanoyl chloride.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)butanoyl chloride?
The canonical SMILES for (2R)-2-(2-methylphenoxy)butanoyl chloride is CC[C@@H](Oc1ccccc1C)C(=O)Cl.
What is the InChIKey of (2R)-2-(2-methylphenoxy)butanoyl chloride?
The InChIKey is OVNWMXIRUZIBQQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-3-9(11(12)13)14-10-7-5-4-6-8(10)2/h4-7,9H,3H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)butanoyl chloride?
(2R)-2-(2-methylphenoxy)butanoyl chloride has a molecular weight of 212.68 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)butanoyl chloride is sourced from PubChem (CID 51980370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).