(E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid

C13H16O3 — CID 18519809

IUPAC(E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid
SMILESCC(O)C(C/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C13H16O3/c1-10(14)12(13(15)16)9-5-8-11-6-3-2-4-7-11/h2-8,10,12,14H,9H2,1H3,(H,15,16)/b8-5+
InChIKeyOAQLPZNDNZBAGO-VMPITWQZSA-N
MW220.27 g/mol
LogP2.17
Rot. Bonds5

About (E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid

(E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid (PubChem CID 18519809) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid
PubChem CID18519809
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid
SMILESCC(O)C(C/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C13H16O3/c1-10(14)12(13(15)16)9-5-8-11-6-3-2-4-7-11/h2-8,10,12,14H,9H2,1H3,(H,15,16)/b8-5+
InChIKeyOAQLPZNDNZBAGO-VMPITWQZSA-N
XLogP2.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid?
The IUPAC name of (E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid (CID 18519809) is (E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid.
What is the SMILES notation for (E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid?
The canonical SMILES for (E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid is CC(O)C(C/C=C/c1ccccc1)C(=O)O.
What is the InChIKey of (E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid?
The InChIKey is OAQLPZNDNZBAGO-VMPITWQZSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(14)12(13(15)16)9-5-8-11-6-3-2-4-7-11/h2-8,10,12,14H,9H2,1H3,(H,15,16)/b8-5+.
What are the key properties of (E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid?
(E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1-hydroxyethyl)-5-phenylpent-4-enoic acid is sourced from PubChem (CID 18519809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).