methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate

C14H18O3 — CID 54322615

IUPACmethyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate
SMILESCOC(=O)[C@H](CC=Cc1ccccc1)[C@@H](C)O
InChIInChI=1S/C14H18O3/c1-11(15)13(14(16)17-2)10-6-9-12-7-4-3-5-8-12/h3-9,11,13,15H,10H2,1-2H3/t11-,13-/m1/s1
InChIKeySSRGZOGRURMRSJ-DGCLKSJQSA-N
MW234.30 g/mol
LogP2.26
Rot. Bonds5

About methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate

methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate (PubChem CID 54322615) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate
PubChem CID54322615
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namemethyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate
SMILESCOC(=O)[C@H](CC=Cc1ccccc1)[C@@H](C)O
InChIInChI=1S/C14H18O3/c1-11(15)13(14(16)17-2)10-6-9-12-7-4-3-5-8-12/h3-9,11,13,15H,10H2,1-2H3/t11-,13-/m1/s1
InChIKeySSRGZOGRURMRSJ-DGCLKSJQSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate?
The IUPAC name of methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate (CID 54322615) is methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate.
What is the SMILES notation for methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate?
The canonical SMILES for methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate is COC(=O)[C@H](CC=Cc1ccccc1)[C@@H](C)O.
What is the InChIKey of methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate?
The InChIKey is SSRGZOGRURMRSJ-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H18O3/c1-11(15)13(14(16)17-2)10-6-9-12-7-4-3-5-8-12/h3-9,11,13,15H,10H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate?
methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate has a molecular weight of 234.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpent-4-enoate is sourced from PubChem (CID 54322615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).