methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate

C14H20O3 — CID 3084638

IUPACmethyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H20O3/c1-14(2,3)11-9-10(5-7-12(11)15)6-8-13(16)17-4/h5,7,9,15H,6,8H2,1-4H3
InChIKeyTVUZOWCUYWPFPN-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.80
Rot. Bonds3

About methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate

methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 3084638) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
PubChem CID3084638
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H20O3/c1-14(2,3)11-9-10(5-7-12(11)15)6-8-13(16)17-4/h5,7,9,15H,6,8H2,1-4H3
InChIKeyTVUZOWCUYWPFPN-UHFFFAOYSA-N
XLogP2.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
methyl 3-(3-tert-butyl-4-propan-2-yloxyphenyl)propanoate
CID 82554235
octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 19979679
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
CID 19087131
methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465
methyl 3-[4-[2-bis[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphanyloxyethoxy-[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphanyl]oxy-3-tert-butylphenyl]propanoate
CID 59498736
methyl 3-(3-tert-butyl-4-hydroxy-5-nitrosophenyl)propanoate
CID 176898072
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid;ethane-1,2-diol
CID 174372134
2-[(1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]ethyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 139605738
bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl] oxalate
CID 175496216
(3-tert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate;2,6-ditert-butyl-4-(hydroxymethyl)phenol;methyl 2-(4-hydroxyphenyl)acetate
CID 159240279

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate?
The IUPAC name of methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate (CID 3084638) is methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate is COC(=O)CCc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate?
The InChIKey is TVUZOWCUYWPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-14(2,3)11-9-10(5-7-12(11)15)6-8-13(16)17-4/h5,7,9,15H,6,8H2,1-4H3.
What are the key properties of methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate?
methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 236.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 3084638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).