3-(4-pent-2-en-3-ylphenyl)propanoic acid

C14H18O2 — CID 68735558

IUPAC3-(4-pent-2-en-3-ylphenyl)propanoic acid
SMILESCC=C(CC)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C14H18O2/c1-3-12(4-2)13-8-5-11(6-9-13)7-10-14(15)16/h3,5-6,8-9H,4,7,10H2,1-2H3,(H,15,16)
InChIKeyUTVUDNHVAZFLCE-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.52
Rot. Bonds5

About 3-(4-pent-2-en-3-ylphenyl)propanoic acid

3-(4-pent-2-en-3-ylphenyl)propanoic acid (PubChem CID 68735558) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(4-pent-2-en-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-pent-2-en-3-ylphenyl)propanoic acid
PubChem CID68735558
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(4-pent-2-en-3-ylphenyl)propanoic acid
SMILESCC=C(CC)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C14H18O2/c1-3-12(4-2)13-8-5-11(6-9-13)7-10-14(15)16/h3,5-6,8-9H,4,7,10H2,1-2H3,(H,15,16)
InChIKeyUTVUDNHVAZFLCE-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-[(Z)-but-2-enoyl]phenyl]propanoic acid
CID 129322720
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
3-[4-(2-fluoro-2-oxoacetyl)phenyl]propanoic acid
CID 167258997
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
3-[4-(3-methylbutanoyl)phenyl]propanoic acid
CID 94686145
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
3-[4-(1-hydroxypropyl)phenyl]propanoic acid
CID 105461698
(Z)-2-[4-(2-carboxyethyl)phenyl]-2-hydroxyethenediazonium
CID 54601213
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
4-(2-carboxyethyl)phenolate
CID 101364536
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280

Frequently Asked Questions

What is the IUPAC name of 3-(4-pent-2-en-3-ylphenyl)propanoic acid?
The IUPAC name of 3-(4-pent-2-en-3-ylphenyl)propanoic acid (CID 68735558) is 3-(4-pent-2-en-3-ylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-pent-2-en-3-ylphenyl)propanoic acid?
The canonical SMILES for 3-(4-pent-2-en-3-ylphenyl)propanoic acid is CC=C(CC)c1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-(4-pent-2-en-3-ylphenyl)propanoic acid?
The InChIKey is UTVUDNHVAZFLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-12(4-2)13-8-5-11(6-9-13)7-10-14(15)16/h3,5-6,8-9H,4,7,10H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-pent-2-en-3-ylphenyl)propanoic acid?
3-(4-pent-2-en-3-ylphenyl)propanoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pent-2-en-3-ylphenyl)propanoic acid is sourced from PubChem (CID 68735558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).