2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid

C14H18O2 — CID 59987712

IUPAC2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid
SMILESC/C=C(\CC)c1cccc(C(C)C(=O)O)c1
InChIInChI=1S/C14H18O2/c1-4-11(5-2)13-8-6-7-12(9-13)10(3)14(15)16/h4,6-10H,5H2,1-3H3,(H,15,16)/b11-4+
InChIKeyYZGASOTWWOBVML-NYYWCZLTSA-N
MW218.30 g/mol
LogP3.69
Rot. Bonds4

About 2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid

2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid (PubChem CID 59987712) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid
PubChem CID59987712
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid
SMILESC/C=C(\CC)c1cccc(C(C)C(=O)O)c1
InChIInChI=1S/C14H18O2/c1-4-11(5-2)13-8-6-7-12(9-13)10(3)14(15)16/h4,6-10H,5H2,1-3H3,(H,15,16)/b11-4+
InChIKeyYZGASOTWWOBVML-NYYWCZLTSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid?
The IUPAC name of 2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid (CID 59987712) is 2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid.
What is the SMILES notation for 2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid?
The canonical SMILES for 2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid is C/C=C(\CC)c1cccc(C(C)C(=O)O)c1.
What is the InChIKey of 2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid?
The InChIKey is YZGASOTWWOBVML-NYYWCZLTSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-11(5-2)13-8-6-7-12(9-13)10(3)14(15)16/h4,6-10H,5H2,1-3H3,(H,15,16)/b11-4+.
What are the key properties of 2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid?
2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid is sourced from PubChem (CID 59987712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).