tert-butyl 4-ethenyl-3-hydroxybenzoate

C13H16O3 — CID 66624692

IUPACtert-butyl 4-ethenyl-3-hydroxybenzoate
SMILESC=Cc1ccc(C(=O)OC(C)(C)C)cc1O
InChIInChI=1S/C13H16O3/c1-5-9-6-7-10(8-11(9)14)12(15)16-13(2,3)4/h5-8,14H,1H2,2-4H3
InChIKeyAVHGFNFRHIBMPA-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.99
Rot. Bonds2

About tert-butyl 4-ethenyl-3-hydroxybenzoate

tert-butyl 4-ethenyl-3-hydroxybenzoate (PubChem CID 66624692) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is tert-butyl 4-ethenyl-3-hydroxybenzoate.

Molecular Properties

Compound Nametert-butyl 4-ethenyl-3-hydroxybenzoate
PubChem CID66624692
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Nametert-butyl 4-ethenyl-3-hydroxybenzoate
SMILESC=Cc1ccc(C(=O)OC(C)(C)C)cc1O
InChIInChI=1S/C13H16O3/c1-5-9-6-7-10(8-11(9)14)12(15)16-13(2,3)4/h5-8,14H,1H2,2-4H3
InChIKeyAVHGFNFRHIBMPA-UHFFFAOYSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(4-ethenyl-3-fluorophenyl)benzoate
CID 178183636
tert-butyl 2-ethenyl-5-methoxybenzoate
CID 172649027
tert-butyl 3-tert-butyl-4-hydroxybenzoate
CID 86036715
tert-butyl 3-bromo-4-formylbenzoate
CID 86076284
tert-butyl 3-hydroxy-4-(4-methylphenyl)benzoate
CID 175791059
tert-butyl 4-(3-ethenyl-4-methoxyphenyl)benzoate
CID 178183612
tert-butyl 4-formyl-3-methoxybenzoate
CID 10513965
2-ethenyl-5-prop-1-en-2-ylphenol
CID 123271004
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate
CID 67027096
(E)-3-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]prop-2-enoic acid
CID 135374941
ditert-butyl 2-methylbenzene-1,4-dicarboxylate
CID 175662987

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethenyl-3-hydroxybenzoate?
The IUPAC name of tert-butyl 4-ethenyl-3-hydroxybenzoate (CID 66624692) is tert-butyl 4-ethenyl-3-hydroxybenzoate.
What is the SMILES notation for tert-butyl 4-ethenyl-3-hydroxybenzoate?
The canonical SMILES for tert-butyl 4-ethenyl-3-hydroxybenzoate is C=Cc1ccc(C(=O)OC(C)(C)C)cc1O.
What is the InChIKey of tert-butyl 4-ethenyl-3-hydroxybenzoate?
The InChIKey is AVHGFNFRHIBMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-5-9-6-7-10(8-11(9)14)12(15)16-13(2,3)4/h5-8,14H,1H2,2-4H3.
What are the key properties of tert-butyl 4-ethenyl-3-hydroxybenzoate?
tert-butyl 4-ethenyl-3-hydroxybenzoate has a molecular weight of 220.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethenyl-3-hydroxybenzoate is sourced from PubChem (CID 66624692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).