methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate

C16H21NO5 — CID 57199192

IUPACmethyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate
SMILESC=C(NOC(C)C(=CCC(=O)OC)OC)c1cccc(O)c1
InChIInChI=1S/C16H21NO5/c1-11(13-6-5-7-14(18)10-13)17-22-12(2)15(20-3)8-9-16(19)21-4/h5-8,10,12,17-18H,1,9H2,2-4H3
InChIKeyYFMWSSSGGFXTBP-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.37
Rot. Bonds8

About methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate

methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate (PubChem CID 57199192) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate.

Molecular Properties

Compound Namemethyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate
PubChem CID57199192
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namemethyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate
SMILESC=C(NOC(C)C(=CCC(=O)OC)OC)c1cccc(O)c1
InChIInChI=1S/C16H21NO5/c1-11(13-6-5-7-14(18)10-13)17-22-12(2)15(20-3)8-9-16(19)21-4/h5-8,10,12,17-18H,1,9H2,2-4H3
InChIKeyYFMWSSSGGFXTBP-UHFFFAOYSA-N
XLogP2.37
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate?
The IUPAC name of methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate (CID 57199192) is methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate.
What is the SMILES notation for methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate?
The canonical SMILES for methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate is C=C(NOC(C)C(=CCC(=O)OC)OC)c1cccc(O)c1.
What is the InChIKey of methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate?
The InChIKey is YFMWSSSGGFXTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11(13-6-5-7-14(18)10-13)17-22-12(2)15(20-3)8-9-16(19)21-4/h5-8,10,12,17-18H,1,9H2,2-4H3.
What are the key properties of methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate?
methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate has a molecular weight of 307.35 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(3-hydroxyphenyl)ethenylamino]oxy-4-methoxyhex-3-enoate is sourced from PubChem (CID 57199192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).