2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone

C12H13ClO2 — CID 63906456

IUPAC2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
SMILESCc1cc(Cl)ccc1OCC(=O)C1CC1
InChIInChI=1S/C12H13ClO2/c1-8-6-10(13)4-5-12(8)15-7-11(14)9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyXXNSVJGUCPBDET-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.01
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone

2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone (PubChem CID 63906456) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
PubChem CID63906456
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
SMILESCc1cc(Cl)ccc1OCC(=O)C1CC1
InChIInChI=1S/C12H13ClO2/c1-8-6-10(13)4-5-12(8)15-7-11(14)9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyXXNSVJGUCPBDET-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
1-[2-(4-chloro-2-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 9156731
2-(4-chloro-2-methylphenoxy)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79403806
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 104752130
1-[2-(4-chloro-2-methylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63032157
2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone
CID 104752067
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)acetic acid
CID 67853868
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 4051969

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone (CID 63906456) is 2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone is Cc1cc(Cl)ccc1OCC(=O)C1CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone?
The InChIKey is XXNSVJGUCPBDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-8-6-10(13)4-5-12(8)15-7-11(14)9-2-3-9/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone?
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone has a molecular weight of 224.69 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone is sourced from PubChem (CID 63906456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).