2-(2-chloro-6-methylphenoxy)acetyl chloride

C9H8Cl2O2 — CID 90385043

IUPAC2-(2-chloro-6-methylphenoxy)acetyl chloride
SMILESCc1cccc(Cl)c1OCC(=O)Cl
InChIInChI=1S/C9H8Cl2O2/c1-6-3-2-4-7(10)9(6)13-5-8(11)12/h2-4H,5H2,1H3
InChIKeyPEKZOZAQNUWUKB-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.79
Rot. Bonds3

About 2-(2-chloro-6-methylphenoxy)acetyl chloride

2-(2-chloro-6-methylphenoxy)acetyl chloride (PubChem CID 90385043) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 2-(2-chloro-6-methylphenoxy)acetyl chloride.

Molecular Properties

Compound Name2-(2-chloro-6-methylphenoxy)acetyl chloride
PubChem CID90385043
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name2-(2-chloro-6-methylphenoxy)acetyl chloride
SMILESCc1cccc(Cl)c1OCC(=O)Cl
InChIInChI=1S/C9H8Cl2O2/c1-6-3-2-4-7(10)9(6)13-5-8(11)12/h2-4H,5H2,1H3
InChIKeyPEKZOZAQNUWUKB-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.79
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

1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
(2-chloro-6-methylphenyl) hydrogen carbonate
CID 155766617
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CID 78765476
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate
CID 146282130
2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide
CID 38113149
3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide
CID 67854584
2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine
CID 154250335
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376
2-(2-amino-6-chlorophenoxy)-N-(2-methylphenyl)acetamide
CID 107716023

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylphenoxy)acetyl chloride?
The IUPAC name of 2-(2-chloro-6-methylphenoxy)acetyl chloride (CID 90385043) is 2-(2-chloro-6-methylphenoxy)acetyl chloride.
What is the SMILES notation for 2-(2-chloro-6-methylphenoxy)acetyl chloride?
The canonical SMILES for 2-(2-chloro-6-methylphenoxy)acetyl chloride is Cc1cccc(Cl)c1OCC(=O)Cl.
What is the InChIKey of 2-(2-chloro-6-methylphenoxy)acetyl chloride?
The InChIKey is PEKZOZAQNUWUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c1-6-3-2-4-7(10)9(6)13-5-8(11)12/h2-4H,5H2,1H3.
What are the key properties of 2-(2-chloro-6-methylphenoxy)acetyl chloride?
2-(2-chloro-6-methylphenoxy)acetyl chloride has a molecular weight of 219.07 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylphenoxy)acetyl chloride is sourced from PubChem (CID 90385043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).