3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one

C16H22O2 — CID 79619017

IUPAC3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one
SMILESCc1cc(OC2CCCC(=O)C2)ccc1C(C)C
InChIInChI=1S/C16H22O2/c1-11(2)16-8-7-15(9-12(16)3)18-14-6-4-5-13(17)10-14/h7-9,11,14H,4-6,10H2,1-3H3
InChIKeyOIUZCCBIKYVYPA-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.01
Rot. Bonds3

About 3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one

3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one (PubChem CID 79619017) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one
PubChem CID79619017
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one
SMILESCc1cc(OC2CCCC(=O)C2)ccc1C(C)C
InChIInChI=1S/C16H22O2/c1-11(2)16-8-7-15(9-12(16)3)18-14-6-4-5-13(17)10-14/h7-9,11,14H,4-6,10H2,1-3H3
InChIKeyOIUZCCBIKYVYPA-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenoxy)cyclohexan-1-one
CID 79618587
3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79618028
3-(2-propan-2-ylphenoxy)cyclohexan-1-one
CID 79618145
1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.4]octan-3-one
CID 66369238
1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one
CID 66366370
3-(3,4-dimethylphenoxy)cyclobutan-1-one
CID 66366173
3-(2,4-dimethylphenoxy)cyclohexan-1-one
CID 79617810
2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol
CID 63472880
3,5-dimethyl-4-(3-oxocyclohexyl)oxybenzonitrile
CID 79625538
3-bromo-1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.4]octane
CID 66344195
1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene
CID 118404641
3-(2,3-dimethylphenoxy)cyclohexan-1-one
CID 79618363

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one?
The IUPAC name of 3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one (CID 79619017) is 3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one.
What is the SMILES notation for 3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one?
The canonical SMILES for 3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one is Cc1cc(OC2CCCC(=O)C2)ccc1C(C)C.
What is the InChIKey of 3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one?
The InChIKey is OIUZCCBIKYVYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11(2)16-8-7-15(9-12(16)3)18-14-6-4-5-13(17)10-14/h7-9,11,14H,4-6,10H2,1-3H3.
What are the key properties of 3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one?
3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one has a molecular weight of 246.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one is sourced from PubChem (CID 79619017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).