2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate

C21H32O3 — CID 59409223

IUPAC2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate
SMILESCCC(C)c1cccc(OCC(=O)OC(C)(C)C2CCCCC2)c1
InChIInChI=1S/C21H32O3/c1-5-16(2)17-10-9-13-19(14-17)23-15-20(22)24-21(3,4)18-11-7-6-8-12-18/h9-10,13-14,16,18H,5-8,11-12,15H2,1-4H3
InChIKeyAKBKRXGSSXBGLF-UHFFFAOYSA-N
MW332.48 g/mol
LogP5.48
Rot. Bonds7

About 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate

2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate (PubChem CID 59409223) has the molecular formula C21H32O3 and a molecular weight of 332.48 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate
PubChem CID59409223
Molecular FormulaC21H32O3
Molecular Weight332.48 g/mol
Exact Mass332.24
IUPAC Name2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate
SMILESCCC(C)c1cccc(OCC(=O)OC(C)(C)C2CCCCC2)c1
InChIInChI=1S/C21H32O3/c1-5-16(2)17-10-9-13-19(14-17)23-15-20(22)24-21(3,4)18-11-7-6-8-12-18/h9-10,13-14,16,18H,5-8,11-12,15H2,1-4H3
InChIKeyAKBKRXGSSXBGLF-UHFFFAOYSA-N
XLogP5.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate with MolForge

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

Launch Full Analysis

Related Compounds

(4-butan-2-ylphenyl)methyl 3-[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethoxy]benzoate
CID 71073729
2-cyclohexylpropan-2-yl 3-butan-2-ylbenzoate
CID 59409220
2-cyclohexylpropan-2-yl 2-[4-[6-(4-hydroxyphenyl)octan-2-yl]phenoxy]acetate
CID 126747371
2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate;(1-ethylcyclopentyl) 2-(5-butan-2-ylnaphthalen-1-yl)oxyacetate;1-phenylethyl 2-(4-butan-2-ylphenoxy)acetate;1-phenylethyl 2,2-dimethylbutanoate
CID 159309145
2-cyclopentylpropan-2-yl 4-butan-2-ylbenzoate
CID 59409193
tert-butyl 2-[3-[4-(3-hydroxyphenyl)hexan-2-yl]phenoxy]acetate
CID 58325712
(3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol
CID 59460177
tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 18731020
3-cyclohexylpentan-3-yl 2-(3-phenylsulfanylphenoxy)acetate
CID 118689526
2-piperidin-1-ium-4-ylpropan-2-yl 2-(3-nitrophenoxy)acetate
CID 167316170
4-[2-(3-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate
CID 123924379
1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
CID 123909157

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate?
The IUPAC name of 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate (CID 59409223) is 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate.
What is the SMILES notation for 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate?
The canonical SMILES for 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate is CCC(C)c1cccc(OCC(=O)OC(C)(C)C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate?
The InChIKey is AKBKRXGSSXBGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O3/c1-5-16(2)17-10-9-13-19(14-17)23-15-20(22)24-21(3,4)18-11-7-6-8-12-18/h9-10,13-14,16,18H,5-8,11-12,15H2,1-4H3.
What are the key properties of 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate?
2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate has a molecular weight of 332.48 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate is sourced from PubChem (CID 59409223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).