methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate

C14H15F3O4 — CID 102173229

IUPACmethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate
SMILESC=C(C[C@@](O)(C(=O)OC)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C14H15F3O4/c1-9(10-4-6-11(20-2)7-5-10)8-13(19,12(18)21-3)14(15,16)17/h4-7,19H,1,8H2,2-3H3/t13-/m1/s1
InChIKeyUKRAJSHOYKMRDQ-CYBMUJFWSA-N
MW304.26 g/mol
LogP2.56
Rot. Bonds5

About methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate

methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate (PubChem CID 102173229) has the molecular formula C14H15F3O4 and a molecular weight of 304.26 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate
PubChem CID102173229
Molecular FormulaC14H15F3O4
Molecular Weight304.26 g/mol
Exact Mass304.09
IUPAC Namemethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate
SMILESC=C(C[C@@](O)(C(=O)OC)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C14H15F3O4/c1-9(10-4-6-11(20-2)7-5-10)8-13(19,12(18)21-3)14(15,16)17/h4-7,19H,1,8H2,2-3H3/t13-/m1/s1
InChIKeyUKRAJSHOYKMRDQ-CYBMUJFWSA-N
XLogP2.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-4-(4-ethylphenyl)-2-hydroxy-2-(trifluoromethyl)pent-4-enoate
CID 102589699
methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate
CID 26985843
1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene
CID 102437970
2-(4-methoxyphenyl)prop-2-ene-1-thiol
CID 144986295
2-chloro-3,3,3-trifluoro-2-methoxy-1-(4-methoxyphenyl)propan-1-one
CID 101453823
ethyl 2-hydroxy-4-methoxy-2-(trifluoromethyl)pent-4-enoate
CID 162536869
1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene
CID 172676194
2,2,3,3,3-pentafluoro-N-[2-(4-methoxyphenyl)-2-oxoethyl]propanamide
CID 584711
methyl 2-(4-methoxyanilino)-2-(trifluoromethyl)pent-4-enoate
CID 101266831
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
4-(4-methoxyphenyl)pent-4-enal
CID 102505314
methyl 4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]benzoate
CID 132514950

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate?
The IUPAC name of methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate (CID 102173229) is methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate.
What is the SMILES notation for methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate?
The canonical SMILES for methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate is C=C(C[C@@](O)(C(=O)OC)C(F)(F)F)c1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate?
The InChIKey is UKRAJSHOYKMRDQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15F3O4/c1-9(10-4-6-11(20-2)7-5-10)8-13(19,12(18)21-3)14(15,16)17/h4-7,19H,1,8H2,2-3H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate?
methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate has a molecular weight of 304.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate is sourced from PubChem (CID 102173229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).