ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate

C13H16O3 — CID 11020407

IUPACethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
SMILESC=C(C[C@@H](O)C(=O)OCC)c1ccccc1
InChIInChI=1S/C13H16O3/c1-3-16-13(15)12(14)9-10(2)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9H2,1H3/t12-/m1/s1
InChIKeyFQZBXVSVJJHSMQ-GFCCVEGCSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds5

About ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate

ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate (PubChem CID 11020407) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
PubChem CID11020407
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Nameethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
SMILESC=C(C[C@@H](O)C(=O)OCC)c1ccccc1
InChIInChI=1S/C13H16O3/c1-3-16-13(15)12(14)9-10(2)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9H2,1H3/t12-/m1/s1
InChIKeyFQZBXVSVJJHSMQ-GFCCVEGCSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 2-hydroxy-4-phenylpent-4-enoate
CID 15878269
ethyl 2-fluoro-4-phenylpent-4-enoate
CID 166658649
triethyl 4-phenylpent-4-ene-1,1,2-tricarboxylate
CID 162400604
propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 102028913
3-hydroxy-5-phenylhex-5-en-2-one
CID 129060443
ethyl (2R)-2-(benzhydrylamino)-4-phenylpent-4-enoate
CID 58666213
diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate
CID 174970352
[(E)-(4-ethoxy-3-hydroxy-4-oxo-1-phenylbutylidene)amino]carbamic acid
CID 174204052
ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate
CID 122375941
tert-butyl-[[(2R)-1-ethoxy-1-oxo-4-phenylpent-4-en-2-yl]amino]-hydroxysulfanium
CID 143200350
ethyl 2-[[(S)-tert-butylsulfinyl]amino]-4-phenylpent-4-enoate
CID 11602245
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate?
The IUPAC name of ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate (CID 11020407) is ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate?
The canonical SMILES for ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate is C=C(C[C@@H](O)C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate?
The InChIKey is FQZBXVSVJJHSMQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-16-13(15)12(14)9-10(2)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate?
ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate has a molecular weight of 220.27 g/mol, XLogP of 2.01, 5 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-phenylpent-4-enoate is sourced from PubChem (CID 11020407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).