cyclohexyl 3-(4-hydroxyphenyl)propanoate

C15H20O3 — CID 13086547

IUPACcyclohexyl 3-(4-hydroxyphenyl)propanoate
SMILESO=C(CCc1ccc(O)cc1)OC1CCCCC1
InChIInChI=1S/C15H20O3/c16-13-9-6-12(7-10-13)8-11-15(17)18-14-4-2-1-3-5-14/h6-7,9-10,14,16H,1-5,8,11H2
InChIKeyWLBCNVNRMDUFTF-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.20
Rot. Bonds4

About cyclohexyl 3-(4-hydroxyphenyl)propanoate

cyclohexyl 3-(4-hydroxyphenyl)propanoate (PubChem CID 13086547) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is cyclohexyl 3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namecyclohexyl 3-(4-hydroxyphenyl)propanoate
PubChem CID13086547
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namecyclohexyl 3-(4-hydroxyphenyl)propanoate
SMILESO=C(CCc1ccc(O)cc1)OC1CCCCC1
InChIInChI=1S/C15H20O3/c16-13-9-6-12(7-10-13)8-11-15(17)18-14-4-2-1-3-5-14/h6-7,9-10,14,16H,1-5,8,11H2
InChIKeyWLBCNVNRMDUFTF-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclododecyl 4-phenylbutanoate
CID 23159480
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861
acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane
CID 143322097
(4-hydroxycyclohexyl) 3-phenylpropanoate
CID 132584936
dicyclohexyl pentanedioate
CID 15593941
(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate
CID 64775888
(3-methylcyclohexyl) 3-(4-cyanophenyl)propanoate
CID 78828916
1-O-benzyl 5-O-cyclohexyl 2-aminopentanedioate
CID 75982869
cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate
CID 68869672
cyclopentyl 2-[4-(aminomethyl)phenyl]acetate
CID 174631265
cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 52537150
copper;cyclohexyl butanoate
CID 67654151

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-(4-hydroxyphenyl)propanoate?
The IUPAC name of cyclohexyl 3-(4-hydroxyphenyl)propanoate (CID 13086547) is cyclohexyl 3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for cyclohexyl 3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for cyclohexyl 3-(4-hydroxyphenyl)propanoate is O=C(CCc1ccc(O)cc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-(4-hydroxyphenyl)propanoate?
The InChIKey is WLBCNVNRMDUFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-13-9-6-12(7-10-13)8-11-15(17)18-14-4-2-1-3-5-14/h6-7,9-10,14,16H,1-5,8,11H2.
What are the key properties of cyclohexyl 3-(4-hydroxyphenyl)propanoate?
cyclohexyl 3-(4-hydroxyphenyl)propanoate has a molecular weight of 248.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 13086547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).