5-(2-ethenylphenyl)pentanoic acid

C13H16O2 — CID 91512730

IUPAC5-(2-ethenylphenyl)pentanoic acid
SMILESC=Cc1ccccc1CCCCC(=O)O
InChIInChI=1S/C13H16O2/c1-2-11-7-3-4-8-12(11)9-5-6-10-13(14)15/h2-4,7-8H,1,5-6,9-10H2,(H,14,15)
InChIKeyYWFUFOZDLFRRRD-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.13
Rot. Bonds6

About 5-(2-ethenylphenyl)pentanoic acid

5-(2-ethenylphenyl)pentanoic acid (PubChem CID 91512730) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(2-ethenylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-(2-ethenylphenyl)pentanoic acid
PubChem CID91512730
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name5-(2-ethenylphenyl)pentanoic acid
SMILESC=Cc1ccccc1CCCCC(=O)O
InChIInChI=1S/C13H16O2/c1-2-11-7-3-4-8-12(11)9-5-6-10-13(14)15/h2-4,7-8H,1,5-6,9-10H2,(H,14,15)
InChIKeyYWFUFOZDLFRRRD-UHFFFAOYSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
1-ethenyl-2-pentylbenzene
CID 22171756
1-butyl-2-ethenylbenzene;2-ethoxyacetic acid
CID 174381438
1-(7-bromoheptyl)-2-ethenylbenzene
CID 22468213
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
(E)-6-(2-nonylphenyl)hex-5-enoic acid
CID 21273106
6-(2-ethenylphenyl)hexane-2,4-dione
CID 21392231
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
[2-(4-carboxybutyl)phenyl]-diphenylsulfanium
CID 151513729

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethenylphenyl)pentanoic acid?
The IUPAC name of 5-(2-ethenylphenyl)pentanoic acid (CID 91512730) is 5-(2-ethenylphenyl)pentanoic acid.
What is the SMILES notation for 5-(2-ethenylphenyl)pentanoic acid?
The canonical SMILES for 5-(2-ethenylphenyl)pentanoic acid is C=Cc1ccccc1CCCCC(=O)O.
What is the InChIKey of 5-(2-ethenylphenyl)pentanoic acid?
The InChIKey is YWFUFOZDLFRRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-11-7-3-4-8-12(11)9-5-6-10-13(14)15/h2-4,7-8H,1,5-6,9-10H2,(H,14,15).
What are the key properties of 5-(2-ethenylphenyl)pentanoic acid?
5-(2-ethenylphenyl)pentanoic acid has a molecular weight of 204.27 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethenylphenyl)pentanoic acid is sourced from PubChem (CID 91512730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).