5-phenylpent-4-enoic acid

C11H12O2 — CID 576164

IUPAC5-phenylpent-4-enoic acid
SMILESO=C(O)CCC=Cc1ccccc1
InChIInChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,12,13)
InChIKeyISCHCBAXHSLKOZ-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.56
Rot. Bonds4

About 5-phenylpent-4-enoic acid

5-phenylpent-4-enoic acid (PubChem CID 576164) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name5-phenylpent-4-enoic acid
PubChem CID576164
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name5-phenylpent-4-enoic acid
SMILESO=C(O)CCC=Cc1ccccc1
InChIInChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,12,13)
InChIKeyISCHCBAXHSLKOZ-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenylpent-4-enoic acid?
The IUPAC name of 5-phenylpent-4-enoic acid (CID 576164) is 5-phenylpent-4-enoic acid.
What is the SMILES notation for 5-phenylpent-4-enoic acid?
The canonical SMILES for 5-phenylpent-4-enoic acid is O=C(O)CCC=Cc1ccccc1.
What is the InChIKey of 5-phenylpent-4-enoic acid?
The InChIKey is ISCHCBAXHSLKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,12,13).
What are the key properties of 5-phenylpent-4-enoic acid?
5-phenylpent-4-enoic acid has a molecular weight of 176.21 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpent-4-enoic acid is sourced from PubChem (CID 576164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).