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

C14H17ClO2 — CID 104752067

IUPAC2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone
SMILESCc1ccc(OCC(=O)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-10-6-7-14(12(15)8-10)17-9-13(16)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyGRSFZAKTSSTORP-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.79
Rot. Bonds4

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

2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone (PubChem CID 104752067) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone
PubChem CID104752067
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone
SMILESCc1ccc(OCC(=O)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-10-6-7-14(12(15)8-10)17-9-13(16)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyGRSFZAKTSSTORP-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
2-(2-chloro-4-fluorophenoxy)-1-cyclohexylethanone
CID 115578096
2-(2-cyclohexyl-2-oxoethoxy)-N,N,5-trimethylbenzenesulfonamide
CID 47058834
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
CID 63906456
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one
CID 92931184
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide
CID 71968843
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
methyl 3-(2-chloro-4-methylphenoxy)-2,2-dimethylpropanoate
CID 79622455

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone (CID 104752067) is 2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone is Cc1ccc(OCC(=O)C2CCCC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone?
The InChIKey is GRSFZAKTSSTORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-10-6-7-14(12(15)8-10)17-9-13(16)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone?
2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone has a molecular weight of 252.74 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone is sourced from PubChem (CID 104752067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).