propyl 3-(3-butyl-2-hydroxyphenyl)propanoate

C16H24O3 — CID 22644112

IUPACpropyl 3-(3-butyl-2-hydroxyphenyl)propanoate
SMILESCCCCc1cccc(CCC(=O)OCCC)c1O
InChIInChI=1S/C16H24O3/c1-3-5-7-13-8-6-9-14(16(13)18)10-11-15(17)19-12-4-2/h6,8-9,18H,3-5,7,10-12H2,1-2H3
InChIKeyHLVOJKHRLPMFNG-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.62
Rot. Bonds8

About propyl 3-(3-butyl-2-hydroxyphenyl)propanoate

propyl 3-(3-butyl-2-hydroxyphenyl)propanoate (PubChem CID 22644112) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is propyl 3-(3-butyl-2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namepropyl 3-(3-butyl-2-hydroxyphenyl)propanoate
PubChem CID22644112
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Namepropyl 3-(3-butyl-2-hydroxyphenyl)propanoate
SMILESCCCCc1cccc(CCC(=O)OCCC)c1O
InChIInChI=1S/C16H24O3/c1-3-5-7-13-8-6-9-14(16(13)18)10-11-15(17)19-12-4-2/h6,8-9,18H,3-5,7,10-12H2,1-2H3
InChIKeyHLVOJKHRLPMFNG-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-(2-hydroxy-3-propan-2-ylphenyl)propanoate
CID 22644094
octadecyl 3-(3,5-dibutyl-4-hydroxyphenyl)propanoate
CID 22015149
2-aminoethyl 3-(3,5-dibutyl-4-hydroxyphenyl)propanoate
CID 175386643
2-(aminomethyl)-6-butylphenol
CID 142528852
butyl 3-[2-(methoxymethyl)phenyl]propanoate
CID 101190303
butyl 3-(2-ethoxyphenyl)propanoate
CID 113221188
bis[2-(2,3-dihydroxyphenyl)ethyl] butanedioate
CID 174992498
3-butyl-2-hydroxybenzoic acid
CID 18681512
propyl 2-(4-butylphenyl)acetate
CID 112724824
(3-butyl-2-hydroxyphenyl) hydrogen carbonate
CID 69349391
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
CID 171777158
2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830

Frequently Asked Questions

What is the IUPAC name of propyl 3-(3-butyl-2-hydroxyphenyl)propanoate?
The IUPAC name of propyl 3-(3-butyl-2-hydroxyphenyl)propanoate (CID 22644112) is propyl 3-(3-butyl-2-hydroxyphenyl)propanoate.
What is the SMILES notation for propyl 3-(3-butyl-2-hydroxyphenyl)propanoate?
The canonical SMILES for propyl 3-(3-butyl-2-hydroxyphenyl)propanoate is CCCCc1cccc(CCC(=O)OCCC)c1O.
What is the InChIKey of propyl 3-(3-butyl-2-hydroxyphenyl)propanoate?
The InChIKey is HLVOJKHRLPMFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-5-7-13-8-6-9-14(16(13)18)10-11-15(17)19-12-4-2/h6,8-9,18H,3-5,7,10-12H2,1-2H3.
What are the key properties of propyl 3-(3-butyl-2-hydroxyphenyl)propanoate?
propyl 3-(3-butyl-2-hydroxyphenyl)propanoate has a molecular weight of 264.36 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(3-butyl-2-hydroxyphenyl)propanoate is sourced from PubChem (CID 22644112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).