3-(2-methoxyphenoxy)propanoyl chloride

C10H11ClO3 — CID 82040752

IUPAC3-(2-methoxyphenoxy)propanoyl chloride
SMILESCOc1ccccc1OCCC(=O)Cl
InChIInChI=1S/C10H11ClO3/c1-13-8-4-2-3-5-9(8)14-7-6-10(11)12/h2-5H,6-7H2,1H3
InChIKeySTSMTGDIRISQSY-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.23
Rot. Bonds5

About 3-(2-methoxyphenoxy)propanoyl chloride

3-(2-methoxyphenoxy)propanoyl chloride (PubChem CID 82040752) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)propanoyl chloride.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)propanoyl chloride
PubChem CID82040752
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name3-(2-methoxyphenoxy)propanoyl chloride
SMILESCOc1ccccc1OCCC(=O)Cl
InChIInChI=1S/C10H11ClO3/c1-13-8-4-2-3-5-9(8)14-7-6-10(11)12/h2-5H,6-7H2,1H3
InChIKeySTSMTGDIRISQSY-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.23
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

4-(2-methoxyphenoxy)butanoyl chloride
CID 82041131
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
3-(2-methoxyphenoxy)-N-prop-2-enylpropanamide
CID 17034572
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)propanoyl chloride?
The IUPAC name of 3-(2-methoxyphenoxy)propanoyl chloride (CID 82040752) is 3-(2-methoxyphenoxy)propanoyl chloride.
What is the SMILES notation for 3-(2-methoxyphenoxy)propanoyl chloride?
The canonical SMILES for 3-(2-methoxyphenoxy)propanoyl chloride is COc1ccccc1OCCC(=O)Cl.
What is the InChIKey of 3-(2-methoxyphenoxy)propanoyl chloride?
The InChIKey is STSMTGDIRISQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-13-8-4-2-3-5-9(8)14-7-6-10(11)12/h2-5H,6-7H2,1H3.
What are the key properties of 3-(2-methoxyphenoxy)propanoyl chloride?
3-(2-methoxyphenoxy)propanoyl chloride has a molecular weight of 214.65 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)propanoyl chloride is sourced from PubChem (CID 82040752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).