3-(2,4-dimethylphenoxy)cyclohexan-1-one

C14H18O2 — CID 79617810

IUPAC3-(2,4-dimethylphenoxy)cyclohexan-1-one
SMILESCc1ccc(OC2CCCC(=O)C2)c(C)c1
InChIInChI=1S/C14H18O2/c1-10-6-7-14(11(2)8-10)16-13-5-3-4-12(15)9-13/h6-8,13H,3-5,9H2,1-2H3
InChIKeyLHHONDLWDBNLHT-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.19
Rot. Bonds2

About 3-(2,4-dimethylphenoxy)cyclohexan-1-one

3-(2,4-dimethylphenoxy)cyclohexan-1-one (PubChem CID 79617810) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)cyclohexan-1-one
PubChem CID79617810
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(2,4-dimethylphenoxy)cyclohexan-1-one
SMILESCc1ccc(OC2CCCC(=O)C2)c(C)c1
InChIInChI=1S/C14H18O2/c1-10-6-7-14(11(2)8-10)16-13-5-3-4-12(15)9-13/h6-8,13H,3-5,9H2,1-2H3
InChIKeyLHHONDLWDBNLHT-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)cyclohexan-1-one?
The IUPAC name of 3-(2,4-dimethylphenoxy)cyclohexan-1-one (CID 79617810) is 3-(2,4-dimethylphenoxy)cyclohexan-1-one.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)cyclohexan-1-one?
The canonical SMILES for 3-(2,4-dimethylphenoxy)cyclohexan-1-one is Cc1ccc(OC2CCCC(=O)C2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenoxy)cyclohexan-1-one?
The InChIKey is LHHONDLWDBNLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-6-7-14(11(2)8-10)16-13-5-3-4-12(15)9-13/h6-8,13H,3-5,9H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenoxy)cyclohexan-1-one?
3-(2,4-dimethylphenoxy)cyclohexan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)cyclohexan-1-one is sourced from PubChem (CID 79617810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).