2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride

C15H12Cl2O3 — CID 154426140

IUPAC2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride
SMILESCC(Oc1ccc(Cl)cc1Oc1ccccc1)C(=O)Cl
InChIInChI=1S/C15H12Cl2O3/c1-10(15(17)18)19-13-8-7-11(16)9-14(13)20-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyNXOVEDGAOSQORW-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.66
Rot. Bonds5

About 2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride

2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride (PubChem CID 154426140) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride.

Molecular Properties

Compound Name2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride
PubChem CID154426140
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride
SMILESCC(Oc1ccc(Cl)cc1Oc1ccccc1)C(=O)Cl
InChIInChI=1S/C15H12Cl2O3/c1-10(15(17)18)19-13-8-7-11(16)9-14(13)20-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyNXOVEDGAOSQORW-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2-phenoxyphenoxy)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

2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 92685331
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 28569618
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9172968
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899
(2S)-2-(5-chloro-N-methyl-2-phenoxyanilino)propanoic acid
CID 100522260
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride?
The IUPAC name of 2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride (CID 154426140) is 2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride.
What is the SMILES notation for 2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride?
The canonical SMILES for 2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride is CC(Oc1ccc(Cl)cc1Oc1ccccc1)C(=O)Cl.
What is the InChIKey of 2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride?
The InChIKey is NXOVEDGAOSQORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-10(15(17)18)19-13-8-7-11(16)9-14(13)20-12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride?
2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride has a molecular weight of 311.16 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride is sourced from PubChem (CID 154426140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).