cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate

C23H36O3 — CID 174669906

IUPACcyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate
SMILESCC(C)(C)c1cc(CCC(=O)OC2CCCCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H36O3/c1-22(2,3)17-14-16(21(25)19(15-17)23(4,5)6)12-13-20(24)26-18-10-8-7-9-11-18/h14-15,18,25H,7-13H2,1-6H3
InChIKeyYIIQJTYETGVCON-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.80
Rot. Bonds4

About cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate

cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate (PubChem CID 174669906) has the molecular formula C23H36O3 and a molecular weight of 360.54 g/mol. Its IUPAC name is cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namecyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate
PubChem CID174669906
Molecular FormulaC23H36O3
Molecular Weight360.54 g/mol
Exact Mass360.27
IUPAC Namecyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate
SMILESCC(C)(C)c1cc(CCC(=O)OC2CCCCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H36O3/c1-22(2,3)17-14-16(21(25)19(15-17)23(4,5)6)12-13-20(24)26-18-10-8-7-9-11-18/h14-15,18,25H,7-13H2,1-6H3
InChIKeyYIIQJTYETGVCON-UHFFFAOYSA-N
XLogP5.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoic acid;carbonate
CID 174722916
2,4-ditert-butyl-6-(cyclohexylsulfanylmethyl)phenol
CID 102028542
cyclohexyl 3-(4-hydroxyphenyl)propanoate
CID 13086547
octadecyl 3-[3-tert-butyl-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoate
CID 156861639
[3,5-bis[3-[3-tert-butyl-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoyloxymethyl]-2,4,6-trimethylphenyl]methyl 3-[3-tert-butyl-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoate
CID 170246362
3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide
CID 21199515
4-[3-tert-butyl-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]-1-methoxybutan-2-one
CID 169276201
(2,3,4,5,6-pentahydroxycyclohexyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 155475940
3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 21199626
2-[2-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoyloxy]ethoxymethoxy]ethyl 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoate
CID 158695693
2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid
CID 87776014
3-[3-tert-butyl-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoyl chloride
CID 156861647

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate?
The IUPAC name of cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate (CID 174669906) is cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate.
What is the SMILES notation for cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate?
The canonical SMILES for cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate is CC(C)(C)c1cc(CCC(=O)OC2CCCCC2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate?
The InChIKey is YIIQJTYETGVCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O3/c1-22(2,3)17-14-16(21(25)19(15-17)23(4,5)6)12-13-20(24)26-18-10-8-7-9-11-18/h14-15,18,25H,7-13H2,1-6H3.
What are the key properties of cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate?
cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate has a molecular weight of 360.54 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate is sourced from PubChem (CID 174669906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).