tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate

C15H20O4 — CID 46841629

IUPACtert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/Oc1ccc(CCO)cc1
InChIInChI=1S/C15H20O4/c1-15(2,3)19-14(17)9-11-18-13-6-4-12(5-7-13)8-10-16/h4-7,9,11,16H,8,10H2,1-3H3/b11-9+
InChIKeyHGGNGGSIOYBJPO-PKNBQFBNSA-N
MW264.32 g/mol
LogP2.46
Rot. Bonds5

About tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate

tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate (PubChem CID 46841629) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate
PubChem CID46841629
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nametert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/Oc1ccc(CCO)cc1
InChIInChI=1S/C15H20O4/c1-15(2,3)19-14(17)9-11-18-13-6-4-12(5-7-13)8-10-16/h4-7,9,11,16H,8,10H2,1-3H3/b11-9+
InChIKeyHGGNGGSIOYBJPO-PKNBQFBNSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate (CID 46841629) is tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate is CC(C)(C)OC(=O)/C=C/Oc1ccc(CCO)cc1.
What is the InChIKey of tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate?
The InChIKey is HGGNGGSIOYBJPO-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H20O4/c1-15(2,3)19-14(17)9-11-18-13-6-4-12(5-7-13)8-10-16/h4-7,9,11,16H,8,10H2,1-3H3/b11-9+.
What are the key properties of tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate?
tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-[4-(2-hydroxyethyl)phenoxy]prop-2-enoate is sourced from PubChem (CID 46841629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).