3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one

C14H17ClO2 — CID 66368885

IUPAC3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1cc(C)ccc1Cl
InChIInChI=1S/C14H17ClO2/c1-4-14(3)12(16)8-13(14)17-11-7-9(2)5-6-10(11)15/h5-7,13H,4,8H2,1-3H3
InChIKeyXPHRTFSTYMHFGN-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.78
Rot. Bonds3

About 3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one

3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one (PubChem CID 66368885) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
PubChem CID66368885
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1cc(C)ccc1Cl
InChIInChI=1S/C14H17ClO2/c1-4-14(3)12(16)8-13(14)17-11-7-9(2)5-6-10(11)15/h5-7,13H,4,8H2,1-3H3
InChIKeyXPHRTFSTYMHFGN-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one
CID 66367067
1-(2-chloro-5-methylphenoxy)spiro[3.4]octan-3-one
CID 66368883
3-(4-bromo-2-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66368493
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66366424
2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one
CID 66368471
2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one
CID 66366795
3-(4-bromo-2-fluorophenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66367646
bis(1-chloro-2-methoxy-4-methylbenzene);ethene;propane
CID 158628534
3-bromo-1-(2-chloro-5-methylphenoxy)spiro[3.5]nonane
CID 66345352
2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one
CID 66367245
2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 66368266
3-ethoxy-2-ethyl-2-methylcyclobutan-1-one
CID 65170456

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The IUPAC name of 3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one (CID 66368885) is 3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The canonical SMILES for 3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one is CCC1(C)C(=O)CC1Oc1cc(C)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The InChIKey is XPHRTFSTYMHFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-4-14(3)12(16)8-13(14)17-11-7-9(2)5-6-10(11)15/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one?
3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one has a molecular weight of 252.74 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one is sourced from PubChem (CID 66368885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).