methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate

C16H19FO5 — CID 18328186

IUPACmethyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C(=C/OCF)c1ccccc1OC1CCCCO1
InChIInChI=1S/C16H19FO5/c1-19-16(18)13(10-20-11-17)12-6-2-3-7-14(12)22-15-8-4-5-9-21-15/h2-3,6-7,10,15H,4-5,8-9,11H2,1H3/b13-10+
InChIKeyDQUYPQYJJBMMCU-JLHYYAGUSA-N
MW310.32 g/mol
LogP3.05
Rot. Bonds6

About methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate

methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate (PubChem CID 18328186) has the molecular formula C16H19FO5 and a molecular weight of 310.32 g/mol. Its IUPAC name is methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate
PubChem CID18328186
Molecular FormulaC16H19FO5
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Namemethyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C(=C/OCF)c1ccccc1OC1CCCCO1
InChIInChI=1S/C16H19FO5/c1-19-16(18)13(10-20-11-17)12-6-2-3-7-14(12)22-15-8-4-5-9-21-15/h2-3,6-7,10,15H,4-5,8-9,11H2,1H3/b13-10+
InChIKeyDQUYPQYJJBMMCU-JLHYYAGUSA-N
XLogP3.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140971142
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140985567
2-(oxetan-2-yloxy)benzamide
CID 172814860
methyl 2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-3-(fluoromethoxy)prop-2-enoate
CID 67702590
[2-[3-[2-(methoxymethoxy)phenyl]prop-2-ynoyl]-6-(oxan-2-yloxy)phenyl] methyl carbonate
CID 102340362
2-(methoxyamino)-2-[2-(oxan-2-yloxy)phenyl]-N-oxoacetamide
CID 57244492
methyl 3-(3,3-dimethylbut-1-en-2-yl)-4-(oxan-2-yloxy)benzoate
CID 57467622
1-[2-bromo-3-[(2R)-oxan-2-yl]oxyphenoxy]propan-2-one
CID 124672649
2-(2-ethenylphenoxy)oxecane
CID 139905565
1-[2,5-bis(oxan-2-yloxy)phenyl]-3-phenylprop-2-en-1-one
CID 142670868
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate (CID 18328186) is methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate is COC(=O)/C(=C/OCF)c1ccccc1OC1CCCCO1.
What is the InChIKey of methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate?
The InChIKey is DQUYPQYJJBMMCU-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H19FO5/c1-19-16(18)13(10-20-11-17)12-6-2-3-7-14(12)22-15-8-4-5-9-21-15/h2-3,6-7,10,15H,4-5,8-9,11H2,1H3/b13-10+.
What are the key properties of methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate?
methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate has a molecular weight of 310.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(fluoromethoxy)-2-[2-(oxan-2-yloxy)phenyl]prop-2-enoate is sourced from PubChem (CID 18328186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).