2-[3-(2-methoxyethyl)phenyl]acetyl chloride

C11H13ClO2 — CID 175188653

IUPAC2-[3-(2-methoxyethyl)phenyl]acetyl chloride
SMILESCOCCc1cccc(CC(=O)Cl)c1
InChIInChI=1S/C11H13ClO2/c1-14-6-5-9-3-2-4-10(7-9)8-11(12)13/h2-4,7H,5-6,8H2,1H3
InChIKeyLZTQBBRHSDMZPA-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.18
Rot. Bonds5

About 2-[3-(2-methoxyethyl)phenyl]acetyl chloride

2-[3-(2-methoxyethyl)phenyl]acetyl chloride (PubChem CID 175188653) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)phenyl]acetyl chloride.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)phenyl]acetyl chloride
PubChem CID175188653
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-[3-(2-methoxyethyl)phenyl]acetyl chloride
SMILESCOCCc1cccc(CC(=O)Cl)c1
InChIInChI=1S/C11H13ClO2/c1-14-6-5-9-3-2-4-10(7-9)8-11(12)13/h2-4,7H,5-6,8H2,1H3
InChIKeyLZTQBBRHSDMZPA-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.18
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

N-hydroxy-3-[3-(2-methoxyethyl)phenyl]propanamide
CID 142811758
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene
CID 167413999
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate
CID 117108625
2-(3-trimethylsilylphenyl)acetyl chloride
CID 11345175
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone
CID 117108260
methyl 2-(3-propylphenyl)acetate
CID 89333992
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)phenyl]acetyl chloride?
The IUPAC name of 2-[3-(2-methoxyethyl)phenyl]acetyl chloride (CID 175188653) is 2-[3-(2-methoxyethyl)phenyl]acetyl chloride.
What is the SMILES notation for 2-[3-(2-methoxyethyl)phenyl]acetyl chloride?
The canonical SMILES for 2-[3-(2-methoxyethyl)phenyl]acetyl chloride is COCCc1cccc(CC(=O)Cl)c1.
What is the InChIKey of 2-[3-(2-methoxyethyl)phenyl]acetyl chloride?
The InChIKey is LZTQBBRHSDMZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-14-6-5-9-3-2-4-10(7-9)8-11(12)13/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 2-[3-(2-methoxyethyl)phenyl]acetyl chloride?
2-[3-(2-methoxyethyl)phenyl]acetyl chloride has a molecular weight of 212.68 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)phenyl]acetyl chloride is sourced from PubChem (CID 175188653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).