(2,4,6-trimethylphenyl)methyl butanoate

C14H20O2 — CID 172847723

IUPAC(2,4,6-trimethylphenyl)methyl butanoate
SMILESCCCC(=O)OCc1c(C)cc(C)cc1C
InChIInChI=1S/C14H20O2/c1-5-6-14(15)16-9-13-11(3)7-10(2)8-12(13)4/h7-8H,5-6,9H2,1-4H3
InChIKeyXQPPIGFJFNCNHG-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.46
Rot. Bonds4

About (2,4,6-trimethylphenyl)methyl butanoate

(2,4,6-trimethylphenyl)methyl butanoate (PubChem CID 172847723) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl)methyl butanoate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl)methyl butanoate
PubChem CID172847723
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2,4,6-trimethylphenyl)methyl butanoate
SMILESCCCC(=O)OCc1c(C)cc(C)cc1C
InChIInChI=1S/C14H20O2/c1-5-6-14(15)16-9-13-11(3)7-10(2)8-12(13)4/h7-8H,5-6,9H2,1-4H3
InChIKeyXQPPIGFJFNCNHG-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate
CID 175063569
(2,3,4,5,6-pentafluorophenyl)methyl butanoate
CID 14205588
(2,6-dichlorophenyl)methyl butanoate
CID 18398420
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 62548645
(2,3-dimethylphenyl)methyl butanoate
CID 71330458
(2,4,6-trimethylphenyl)methyl (2S)-2-amino-4-methylpentanoate
CID 94275984
propyl 3-(3,5-dimethylphenyl)propanoate
CID 173270360
(2,4,6-trimethylphenyl)methyl 3-amino-4-methylbenzoate
CID 63450626
(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl dodecanoate
CID 86734281

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl)methyl butanoate?
The IUPAC name of (2,4,6-trimethylphenyl)methyl butanoate (CID 172847723) is (2,4,6-trimethylphenyl)methyl butanoate.
What is the SMILES notation for (2,4,6-trimethylphenyl)methyl butanoate?
The canonical SMILES for (2,4,6-trimethylphenyl)methyl butanoate is CCCC(=O)OCc1c(C)cc(C)cc1C.
What is the InChIKey of (2,4,6-trimethylphenyl)methyl butanoate?
The InChIKey is XQPPIGFJFNCNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-6-14(15)16-9-13-11(3)7-10(2)8-12(13)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of (2,4,6-trimethylphenyl)methyl butanoate?
(2,4,6-trimethylphenyl)methyl butanoate has a molecular weight of 220.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl)methyl butanoate is sourced from PubChem (CID 172847723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).