(E)-3-(4-propylphenyl)hex-2-enoic acid

C15H20O2 — CID 93185097

IUPAC(E)-3-(4-propylphenyl)hex-2-enoic acid
SMILESCCC/C(=C\C(=O)O)c1ccc(CCC)cc1
InChIInChI=1S/C15H20O2/c1-3-5-12-7-9-13(10-8-12)14(6-4-2)11-15(16)17/h7-11H,3-6H2,1-2H3,(H,16,17)/b14-11+
InChIKeyFTXHAEULQMYDMD-SDNWHVSQSA-N
MW232.32 g/mol
LogP3.91
Rot. Bonds6

About (E)-3-(4-propylphenyl)hex-2-enoic acid

(E)-3-(4-propylphenyl)hex-2-enoic acid (PubChem CID 93185097) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (E)-3-(4-propylphenyl)hex-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-propylphenyl)hex-2-enoic acid
PubChem CID93185097
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(E)-3-(4-propylphenyl)hex-2-enoic acid
SMILESCCC/C(=C\C(=O)O)c1ccc(CCC)cc1
InChIInChI=1S/C15H20O2/c1-3-5-12-7-9-13(10-8-12)14(6-4-2)11-15(16)17/h7-11H,3-6H2,1-2H3,(H,16,17)/b14-11+
InChIKeyFTXHAEULQMYDMD-SDNWHVSQSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-aminophenyl)hex-2-enoic acid
CID 112721870
ethane;4-propylbenzoic acid
CID 91047964
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
3-methylbut-2-enoic acid;4-propylphenol
CID 157200751
(E)-3-(3,4-dipropoxyphenyl)hex-2-enoic acid
CID 83957950
(E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid
CID 82049014
(E)-3-(4-chlorophenyl)hept-2-enoic acid
CID 82049214
(E)-3-(4-ethoxy-3-methoxyphenyl)hex-2-enoic acid
CID 83958708
(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid
CID 66759556
3-phenyl-1-(4-propylphenyl)prop-2-en-1-one
CID 162367124
cadmium(2+);bis(4-propylbenzoate)
CID 101299923
4-[(E)-1-carboxybut-1-en-2-yl]benzoic acid
CID 83959454

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-propylphenyl)hex-2-enoic acid?
The IUPAC name of (E)-3-(4-propylphenyl)hex-2-enoic acid (CID 93185097) is (E)-3-(4-propylphenyl)hex-2-enoic acid.
What is the SMILES notation for (E)-3-(4-propylphenyl)hex-2-enoic acid?
The canonical SMILES for (E)-3-(4-propylphenyl)hex-2-enoic acid is CCC/C(=C\C(=O)O)c1ccc(CCC)cc1.
What is the InChIKey of (E)-3-(4-propylphenyl)hex-2-enoic acid?
The InChIKey is FTXHAEULQMYDMD-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-5-12-7-9-13(10-8-12)14(6-4-2)11-15(16)17/h7-11H,3-6H2,1-2H3,(H,16,17)/b14-11+.
What are the key properties of (E)-3-(4-propylphenyl)hex-2-enoic acid?
(E)-3-(4-propylphenyl)hex-2-enoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-propylphenyl)hex-2-enoic acid is sourced from PubChem (CID 93185097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).