2-(4-ethoxyphenoxy)propanoyl chloride

C11H13ClO3 — CID 82041126

IUPAC2-(4-ethoxyphenoxy)propanoyl chloride
SMILESCCOc1ccc(OC(C)C(=O)Cl)cc1
InChIInChI=1S/C11H13ClO3/c1-3-14-9-4-6-10(7-5-9)15-8(2)11(12)13/h4-8H,3H2,1-2H3
InChIKeyJQBHTVRMBZNUNR-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.62
Rot. Bonds5

About 2-(4-ethoxyphenoxy)propanoyl chloride

2-(4-ethoxyphenoxy)propanoyl chloride (PubChem CID 82041126) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)propanoyl chloride.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)propanoyl chloride
PubChem CID82041126
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-(4-ethoxyphenoxy)propanoyl chloride
SMILESCCOc1ccc(OC(C)C(=O)Cl)cc1
InChIInChI=1S/C11H13ClO3/c1-3-14-9-4-6-10(7-5-9)15-8(2)11(12)13/h4-8H,3H2,1-2H3
InChIKeyJQBHTVRMBZNUNR-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-propylphenoxy)propanoyl chloride
CID 86712374
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
(2R)-2-(3,4-dimethylphenoxy)propanoyl chloride
CID 51663756
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
2-(3,5-dichlorophenoxy)propanoyl chloride
CID 82042078
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
2-(4-ethoxyphenoxy)butanamide
CID 62901060
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea
CID 8679739
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
N-[4-(dimethylamino)phenyl]-2-(4-ethoxyphenoxy)propanamide
CID 53267102

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)propanoyl chloride?
The IUPAC name of 2-(4-ethoxyphenoxy)propanoyl chloride (CID 82041126) is 2-(4-ethoxyphenoxy)propanoyl chloride.
What is the SMILES notation for 2-(4-ethoxyphenoxy)propanoyl chloride?
The canonical SMILES for 2-(4-ethoxyphenoxy)propanoyl chloride is CCOc1ccc(OC(C)C(=O)Cl)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)propanoyl chloride?
The InChIKey is JQBHTVRMBZNUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-3-14-9-4-6-10(7-5-9)15-8(2)11(12)13/h4-8H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenoxy)propanoyl chloride?
2-(4-ethoxyphenoxy)propanoyl chloride has a molecular weight of 228.67 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)propanoyl chloride is sourced from PubChem (CID 82041126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).