ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate

C15H19FO3 — CID 12014070

IUPACethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate
SMILESC=CC[C@@](F)(C(=O)OCC)[C@H](O)c1ccc(C)cc1
InChIInChI=1S/C15H19FO3/c1-4-10-15(16,14(18)19-5-2)13(17)12-8-6-11(3)7-9-12/h4,6-9,13,17H,1,5,10H2,2-3H3/t13-,15+/m1/s1
InChIKeyFJKWNHZKGJBPAN-HIFRSBDPSA-N
MW266.31 g/mol
LogP2.88
Rot. Bonds6

About ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate

ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate (PubChem CID 12014070) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate.

Molecular Properties

Compound Nameethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate
PubChem CID12014070
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Nameethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate
SMILESC=CC[C@@](F)(C(=O)OCC)[C@H](O)c1ccc(C)cc1
InChIInChI=1S/C15H19FO3/c1-4-10-15(16,14(18)19-5-2)13(17)12-8-6-11(3)7-9-12/h4,6-9,13,17H,1,5,10H2,2-3H3/t13-,15+/m1/s1
InChIKeyFJKWNHZKGJBPAN-HIFRSBDPSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate
CID 11367959
ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
CID 15139256
ethyl (E)-2,2-difluoro-4-(4-methylphenyl)but-3-enoate
CID 132937364
ethyl (2S,3S)-2-bromo-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 101158378
ethyl 2,2-difluoro-3-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]propanoate
CID 62396972
ethyl 2-acetyl-2-fluoropent-4-enoate
CID 15372207
methyl 3,3,3-trifluoro-2-hydroxy-2-[hydroxy-(4-methylphenyl)methyl]propanoate
CID 11521967
diethyl 2-(4-fluorophenyl)-2-prop-2-enylpropanedioate
CID 103973170
ethyl 2-fluoro-2-(4-methylphenyl)acetate
CID 15712195
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
ethyl 3-(2,5-dimethylphenyl)-2,2-difluoro-3-hydroxypropanoate
CID 62398379

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate?
The IUPAC name of ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate (CID 12014070) is ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate.
What is the SMILES notation for ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate?
The canonical SMILES for ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate is C=CC[C@@](F)(C(=O)OCC)[C@H](O)c1ccc(C)cc1.
What is the InChIKey of ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate?
The InChIKey is FJKWNHZKGJBPAN-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H19FO3/c1-4-10-15(16,14(18)19-5-2)13(17)12-8-6-11(3)7-9-12/h4,6-9,13,17H,1,5,10H2,2-3H3/t13-,15+/m1/s1.
What are the key properties of ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate?
ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate has a molecular weight of 266.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate is sourced from PubChem (CID 12014070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).