ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate

C16H24O3 — CID 66321481

IUPACethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate
SMILESCCOC(=O)CCC(C)(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H24O3/c1-6-19-14(17)7-8-16(5,18)15-12(3)9-11(2)10-13(15)4/h9-10,18H,6-8H2,1-5H3
InChIKeyUUOTUJLITBQOIF-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.16
Rot. Bonds5

About ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate

ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate (PubChem CID 66321481) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate
PubChem CID66321481
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Nameethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate
SMILESCCOC(=O)CCC(C)(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H24O3/c1-6-19-14(17)7-8-16(5,18)15-12(3)9-11(2)10-13(15)4/h9-10,18H,6-8H2,1-5H3
InChIKeyUUOTUJLITBQOIF-UHFFFAOYSA-N
XLogP3.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4,4-dihydroxypentanoate
CID 123268886
2-(2,4,6-trimethylphenyl)butan-2-ol
CID 91656781
ethyl 4-(3,4-dichlorophenyl)-4-hydroxypentanoate
CID 66321487
ethyl 4-(3-bromophenyl)-4-hydroxypentanoate
CID 66324035
1-(ethylamino)-2-(2,4,6-trimethylphenyl)propan-2-ol
CID 62773393
ethyl 4-(3-bromo-4-fluorophenyl)-4-hydroxypentanoate
CID 66321896
ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate
CID 66322325
ethyl 4-hydroperoxy-4-hydroxypentanoate
CID 12522765
ethyl 4,4-diethoxypentanoate
CID 523027
ethyl 5-cyano-4-oxo-5-(2,4,6-trimethylphenyl)pentanoate
CID 21387742
ethyl 4-hydroxy-4,6-dimethylhept-5-enoate
CID 66323403
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate?
The IUPAC name of ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate (CID 66321481) is ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate.
What is the SMILES notation for ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate?
The canonical SMILES for ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate is CCOC(=O)CCC(C)(O)c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate?
The InChIKey is UUOTUJLITBQOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-6-19-14(17)7-8-16(5,18)15-12(3)9-11(2)10-13(15)4/h9-10,18H,6-8H2,1-5H3.
What are the key properties of ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate?
ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate has a molecular weight of 264.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate is sourced from PubChem (CID 66321481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).