2-(3-chloro-5-ethylphenoxy)acetyl chloride

C10H10Cl2O2 — CID 166063564

IUPAC2-(3-chloro-5-ethylphenoxy)acetyl chloride
SMILESCCc1cc(Cl)cc(OCC(=O)Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-2-7-3-8(11)5-9(4-7)14-6-10(12)13/h3-5H,2,6H2,1H3
InChIKeyGWFSXLASPZKFAK-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.05
Rot. Bonds4

About 2-(3-chloro-5-ethylphenoxy)acetyl chloride

2-(3-chloro-5-ethylphenoxy)acetyl chloride (PubChem CID 166063564) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 2-(3-chloro-5-ethylphenoxy)acetyl chloride.

Molecular Properties

Compound Name2-(3-chloro-5-ethylphenoxy)acetyl chloride
PubChem CID166063564
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name2-(3-chloro-5-ethylphenoxy)acetyl chloride
SMILESCCc1cc(Cl)cc(OCC(=O)Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-2-7-3-8(11)5-9(4-7)14-6-10(12)13/h3-5H,2,6H2,1H3
InChIKeyGWFSXLASPZKFAK-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.05
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-(3,5-dichlorophenoxy)-N,N-diethylacetamide
CID 84603845
2-(3,5-difluorophenoxy)acetyl chloride
CID 168917412
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
CID 143344817
1-chloro-3-(3,5-dichlorophenoxy)propan-2-one
CID 39356766
2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone
CID 60623922
2-(3,5-dichlorophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7467237
tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate
CID 58944391
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
2-(4-fluoro-3-methylphenoxy)acetyl chloride
CID 59775204
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
2-[4-[(4-hexylphenyl)diazenyl]phenoxy]acetyl chloride
CID 22501487

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-ethylphenoxy)acetyl chloride?
The IUPAC name of 2-(3-chloro-5-ethylphenoxy)acetyl chloride (CID 166063564) is 2-(3-chloro-5-ethylphenoxy)acetyl chloride.
What is the SMILES notation for 2-(3-chloro-5-ethylphenoxy)acetyl chloride?
The canonical SMILES for 2-(3-chloro-5-ethylphenoxy)acetyl chloride is CCc1cc(Cl)cc(OCC(=O)Cl)c1.
What is the InChIKey of 2-(3-chloro-5-ethylphenoxy)acetyl chloride?
The InChIKey is GWFSXLASPZKFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-2-7-3-8(11)5-9(4-7)14-6-10(12)13/h3-5H,2,6H2,1H3.
What are the key properties of 2-(3-chloro-5-ethylphenoxy)acetyl chloride?
2-(3-chloro-5-ethylphenoxy)acetyl chloride has a molecular weight of 233.09 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-ethylphenoxy)acetyl chloride is sourced from PubChem (CID 166063564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).