4-(2-methoxyphenoxy)butanoyl chloride

C11H13ClO3 — CID 82041131

IUPAC4-(2-methoxyphenoxy)butanoyl chloride
SMILESCOc1ccccc1OCCCC(=O)Cl
InChIInChI=1S/C11H13ClO3/c1-14-9-5-2-3-6-10(9)15-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3
InChIKeyNBYBYFUAPBJRDX-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.62
Rot. Bonds6

About 4-(2-methoxyphenoxy)butanoyl chloride

4-(2-methoxyphenoxy)butanoyl chloride (PubChem CID 82041131) has the molecular formula C11H13ClO3 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)butanoyl chloride.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)butanoyl chloride
PubChem CID82041131
Molecular FormulaC11H13ClO3
Molecular Weight228.68 g/mol
Exact Mass228.06
IUPAC Name4-(2-methoxyphenoxy)butanoyl chloride
SMILESCOc1ccccc1OCCCC(=O)Cl
InChIInChI=1S/C11H13ClO3/c1-14-9-5-2-3-6-10(9)15-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3
InChIKeyNBYBYFUAPBJRDX-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenoxy)propanoyl chloride
CID 82040752
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
4-(2-ethylphenoxy)butanamide
CID 82040636
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
CID 16614189

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)butanoyl chloride?
The IUPAC name of 4-(2-methoxyphenoxy)butanoyl chloride (CID 82041131) is 4-(2-methoxyphenoxy)butanoyl chloride.
What is the SMILES notation for 4-(2-methoxyphenoxy)butanoyl chloride?
The canonical SMILES for 4-(2-methoxyphenoxy)butanoyl chloride is COc1ccccc1OCCCC(=O)Cl.
What is the InChIKey of 4-(2-methoxyphenoxy)butanoyl chloride?
The InChIKey is NBYBYFUAPBJRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-14-9-5-2-3-6-10(9)15-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 4-(2-methoxyphenoxy)butanoyl chloride?
4-(2-methoxyphenoxy)butanoyl chloride has a molecular weight of 228.68 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)butanoyl chloride is sourced from PubChem (CID 82041131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).