ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate

C20H19F3O3 — CID 135055354

IUPACethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate
SMILESC=C(C[C@@](O)(C(=O)OCC)C(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19F3O3/c1-3-26-18(24)19(25,20(21,22)23)13-14(2)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,25H,2-3,13H2,1H3/t19-/m1/s1
InChIKeyGJSGNYVSJNTPHE-LJQANCHMSA-N
MW364.36 g/mol
LogP4.61
Rot. Bonds6

About ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate

ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate (PubChem CID 135055354) has the molecular formula C20H19F3O3 and a molecular weight of 364.36 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate
PubChem CID135055354
Molecular FormulaC20H19F3O3
Molecular Weight364.36 g/mol
Exact Mass364.13
IUPAC Nameethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate
SMILESC=C(C[C@@](O)(C(=O)OCC)C(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19F3O3/c1-3-26-18(24)19(25,20(21,22)23)13-14(2)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,25H,2-3,13H2,1H3/t19-/m1/s1
InChIKeyGJSGNYVSJNTPHE-LJQANCHMSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl diphenylglycolate
CID 96261
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-methylphenyl)propanoic acid
CID 3129813
1,3-Dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate
CID 56950597
3-(2-Ethyl-2-methyloxan-4-yl)-3-(4-methylphenyl)propanoic acid
CID 2880282
Propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate
CID 53383611
1,3-Dihydroxypropan-2-yl 6-(4-phenylphenyl)hexanoate
CID 56950596
4-[4-(Trifluoromethyl)benzyl]benzeneheptanoic acid
CID 15667438
Ethyl 2-(4-Biphenylyl)-2,2-difluoroacetate
CID 12585539
Ethyl alpha-hydroxy-alpha-(trifluoromethyl)phenylacetate
CID 14790773
(1,1'-Biphenyl)-4-propanoic acid, alpha-hydroxy-beta-methyl-
CID 198491
4-(2',4'-Difluoro(1,1'-biphenyl)-4-YL)-2-methylbutanoic acid
CID 4626385
Ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate
CID 11776001

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate?
The IUPAC name of ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate (CID 135055354) is ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate?
The canonical SMILES for ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate is C=C(C[C@@](O)(C(=O)OCC)C(F)(F)F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate?
The InChIKey is GJSGNYVSJNTPHE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19F3O3/c1-3-26-18(24)19(25,20(21,22)23)13-14(2)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,25H,2-3,13H2,1H3/t19-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate?
ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate has a molecular weight of 364.36 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-4-(4-phenylphenyl)-2-(trifluoromethyl)pent-4-enoate is sourced from PubChem (CID 135055354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).