3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one

C19H28O2 — CID 39390816

IUPAC3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
SMILESCC(C)(C)c1ccc(OCCC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H28O2/c1-19(2,3)16-9-11-17(12-10-16)21-14-13-18(20)15-7-5-4-6-8-15/h9-12,15H,4-8,13-14H2,1-3H3
InChIKeyYSSLNEJPAYAQJX-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.90
Rot. Bonds5

About 3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one

3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one (PubChem CID 39390816) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
PubChem CID39390816
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
SMILESCC(C)(C)c1ccc(OCCC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H28O2/c1-19(2,3)16-9-11-17(12-10-16)21-14-13-18(20)15-7-5-4-6-8-15/h9-12,15H,4-8,13-14H2,1-3H3
InChIKeyYSSLNEJPAYAQJX-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one?
The IUPAC name of 3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one (CID 39390816) is 3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one.
What is the SMILES notation for 3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one?
The canonical SMILES for 3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one is CC(C)(C)c1ccc(OCCC(=O)C2CCCCC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one?
The InChIKey is YSSLNEJPAYAQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-19(2,3)16-9-11-17(12-10-16)21-14-13-18(20)15-7-5-4-6-8-15/h9-12,15H,4-8,13-14H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one?
3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one has a molecular weight of 288.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one is sourced from PubChem (CID 39390816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).