[2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate

C16H17F3O6 — CID 177277255

IUPAC[2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COCC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H17F3O6/c1-10(2)15(22)24-8-12(20)7-23-9-14(21)11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12,20H,1,7-9H2,2H3
InChIKeyMXGOORZJSVBZJH-UHFFFAOYSA-N
MW362.30 g/mol
LogP2.26
Rot. Bonds9

About [2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate (PubChem CID 177277255) has the molecular formula C16H17F3O6 and a molecular weight of 362.30 g/mol. Its IUPAC name is [2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate
PubChem CID177277255
Molecular FormulaC16H17F3O6
Molecular Weight362.30 g/mol
Exact Mass362.10
IUPAC Name[2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COCC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H17F3O6/c1-10(2)15(22)24-8-12(20)7-23-9-14(21)11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12,20H,1,7-9H2,2H3
InChIKeyMXGOORZJSVBZJH-UHFFFAOYSA-N
XLogP2.26
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 4-(trifluoromethoxy)benzoate
CID 177277344
[2-hydroxy-3-[3-(trifluoromethoxy)phenoxy]propyl] 2-methylprop-2-enoate
CID 177277226
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
3-methylidene-1-[4-(trifluoromethoxy)phenyl]pentan-1-one
CID 115781206
bis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 4,6-diacetylbenzene-1,3-dicarboxylate
CID 134575101
1-O,3-O-bis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 5-O-methyl benzene-1,3,5-tricarboxylate
CID 59248463
[3-[4-(dibromomethyl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 70468740
[2-[[2-(4-aminophenyl)-2-oxoethoxy]methyl]-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
CID 154423035
[3-[4-[2-[4-[2,3-bis(2-methylprop-2-enoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 59069632
[3-(4-tert-butylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 157088737
1,6-bis[4-(trifluoromethoxy)phenyl]hexane-1,6-dione
CID 10502949
[3-[4-[2-[4-(ethoxymethoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 155318353

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate (CID 177277255) is [2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COCC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate?
The InChIKey is MXGOORZJSVBZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O6/c1-10(2)15(22)24-8-12(20)7-23-9-14(21)11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12,20H,1,7-9H2,2H3.
What are the key properties of [2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate has a molecular weight of 362.30 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethoxy]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 177277255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).