tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate

C15H20O4 — CID 11380047

IUPACtert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate
SMILESC=C(OCc1ccc(OC)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20O4/c1-11(14(16)19-15(2,3)4)18-10-12-6-8-13(17-5)9-7-12/h6-9H,1,10H2,2-5H3
InChIKeyZQVLCFHJSZMRAV-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.07
Rot. Bonds5

About tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate

tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate (PubChem CID 11380047) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate
PubChem CID11380047
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nametert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate
SMILESC=C(OCc1ccc(OC)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20O4/c1-11(14(16)19-15(2,3)4)18-10-12-6-8-13(17-5)9-7-12/h6-9H,1,10H2,2-5H3
InChIKeyZQVLCFHJSZMRAV-UHFFFAOYSA-N
XLogP3.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
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 2-[(4-methoxyphenyl)methoxy]prop-2-enoate?
The IUPAC name of tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate (CID 11380047) is tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate.
What is the SMILES notation for tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate?
The canonical SMILES for tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate is C=C(OCc1ccc(OC)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate?
The InChIKey is ZQVLCFHJSZMRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(14(16)19-15(2,3)4)18-10-12-6-8-13(17-5)9-7-12/h6-9H,1,10H2,2-5H3.
What are the key properties of tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate?
tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate is sourced from PubChem (CID 11380047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).