(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride

C9H7Cl3O2 — CID 51663788

IUPAC(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
SMILESC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Cl
InChIInChI=1S/C9H7Cl3O2/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3/t5-/m1/s1
InChIKeyIBENOOQTUVKWRF-RXMQYKEDSA-N
MW253.51 g/mol
LogP3.53
Rot. Bonds3

About (2R)-2-(2,5-dichlorophenoxy)propanoyl chloride

(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride (PubChem CID 51663788) has the molecular formula C9H7Cl3O2 and a molecular weight of 253.51 g/mol. Its IUPAC name is (2R)-2-(2,5-dichlorophenoxy)propanoyl chloride.

Molecular Properties

Compound Name(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
PubChem CID51663788
Molecular FormulaC9H7Cl3O2
Molecular Weight253.51 g/mol
Exact Mass251.95
IUPAC Name(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
SMILESC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Cl
InChIInChI=1S/C9H7Cl3O2/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3/t5-/m1/s1
InChIKeyIBENOOQTUVKWRF-RXMQYKEDSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.51
LogP ≤ 53.53
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

2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
2-(2,4,5-trichlorophenoxy)propanoyl chloride
CID 71363977
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
(2S)-2-(2,5-dichlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 40744738
2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride
CID 154426140
2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 115279930
(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 903590

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dichlorophenoxy)propanoyl chloride?
The IUPAC name of (2R)-2-(2,5-dichlorophenoxy)propanoyl chloride (CID 51663788) is (2R)-2-(2,5-dichlorophenoxy)propanoyl chloride.
What is the SMILES notation for (2R)-2-(2,5-dichlorophenoxy)propanoyl chloride?
The canonical SMILES for (2R)-2-(2,5-dichlorophenoxy)propanoyl chloride is C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Cl.
What is the InChIKey of (2R)-2-(2,5-dichlorophenoxy)propanoyl chloride?
The InChIKey is IBENOOQTUVKWRF-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H7Cl3O2/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3/t5-/m1/s1.
What are the key properties of (2R)-2-(2,5-dichlorophenoxy)propanoyl chloride?
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride has a molecular weight of 253.51 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dichlorophenoxy)propanoyl chloride is sourced from PubChem (CID 51663788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).