tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate

C15H20O5 — CID 139988139

IUPACtert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate
SMILESCOCOc1ccc(C=CC(=O)OC(C)(C)C)c(O)c1
InChIInChI=1S/C15H20O5/c1-15(2,3)20-14(17)8-6-11-5-7-12(9-13(11)16)19-10-18-4/h5-9,16H,10H2,1-4H3
InChIKeyKGRFFQWYAIZCRS-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.73
Rot. Bonds5

About tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate

tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate (PubChem CID 139988139) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate
PubChem CID139988139
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Nametert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate
SMILESCOCOc1ccc(C=CC(=O)OC(C)(C)C)c(O)c1
InChIInChI=1S/C15H20O5/c1-15(2,3)20-14(17)8-6-11-5-7-12(9-13(11)16)19-10-18-4/h5-9,16H,10H2,1-4H3
InChIKeyKGRFFQWYAIZCRS-UHFFFAOYSA-N
XLogP2.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate
CID 139988184
(E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 100960826
tert-butyl 10-[2-formyl-5-(methoxymethoxy)phenoxy]decanoate
CID 171476426
tert-butyl (E)-3-(2-carbamoyl-4-hydroxyphenyl)prop-2-enoate
CID 69232306
tert-butyl 3-[2-(methoxymethyl)-5-methyl-3-pyridinyl]prop-2-enoate
CID 174510681
ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
CID 163381454
tert-butyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 44571369
tert-butyl 3-[4-chloro-2-(2-methoxy-2-oxoethyl)phenyl]prop-2-enoate
CID 69121713
tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336
(E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-2-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 57402432
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
1-(2-hydroxy-4-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553838

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate?
The IUPAC name of tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate (CID 139988139) is tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate?
The canonical SMILES for tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate is COCOc1ccc(C=CC(=O)OC(C)(C)C)c(O)c1.
What is the InChIKey of tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate?
The InChIKey is KGRFFQWYAIZCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-15(2,3)20-14(17)8-6-11-5-7-12(9-13(11)16)19-10-18-4/h5-9,16H,10H2,1-4H3.
What are the key properties of tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate?
tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate has a molecular weight of 280.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 139988139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).