2-(3-ethoxyphenyl)acetyl chloride

C10H11ClO2 — CID 22994163

IUPAC2-(3-ethoxyphenyl)acetyl chloride
SMILESCCOc1cccc(CC(=O)Cl)c1
InChIInChI=1S/C10H11ClO2/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3
InChIKeyJUCCYFODYCTTRQ-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.39
Rot. Bonds4

About 2-(3-ethoxyphenyl)acetyl chloride

2-(3-ethoxyphenyl)acetyl chloride (PubChem CID 22994163) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)acetyl chloride.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)acetyl chloride
PubChem CID22994163
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-(3-ethoxyphenyl)acetyl chloride
SMILESCCOc1cccc(CC(=O)Cl)c1
InChIInChI=1S/C10H11ClO2/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3
InChIKeyJUCCYFODYCTTRQ-UHFFFAOYSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.39
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

2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
2-(3-ethoxyphenyl)ethanimidamide
CID 4114058
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
(3-ethoxyphenyl)methanethiol
CID 79885244
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
1-(3-butoxyphenyl)butan-2-one
CID 82161239
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one
CID 160743343
2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982957
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)acetyl chloride?
The IUPAC name of 2-(3-ethoxyphenyl)acetyl chloride (CID 22994163) is 2-(3-ethoxyphenyl)acetyl chloride.
What is the SMILES notation for 2-(3-ethoxyphenyl)acetyl chloride?
The canonical SMILES for 2-(3-ethoxyphenyl)acetyl chloride is CCOc1cccc(CC(=O)Cl)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)acetyl chloride?
The InChIKey is JUCCYFODYCTTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3.
What are the key properties of 2-(3-ethoxyphenyl)acetyl chloride?
2-(3-ethoxyphenyl)acetyl chloride has a molecular weight of 198.65 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)acetyl chloride is sourced from PubChem (CID 22994163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).