(E)-4-ethyl-3-phenylhex-2-enoic acid

C14H18O2 — CID 82048815

IUPAC(E)-4-ethyl-3-phenylhex-2-enoic acid
SMILESCCC(CC)/C(=C\C(=O)O)c1ccccc1
InChIInChI=1S/C14H18O2/c1-3-11(4-2)13(10-14(15)16)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,15,16)/b13-10+
InChIKeyMABQKHSPVXOSEG-JLHYYAGUSA-N
MW218.30 g/mol
LogP3.59
Rot. Bonds5

About (E)-4-ethyl-3-phenylhex-2-enoic acid

(E)-4-ethyl-3-phenylhex-2-enoic acid (PubChem CID 82048815) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (E)-4-ethyl-3-phenylhex-2-enoic acid.

Molecular Properties

Compound Name(E)-4-ethyl-3-phenylhex-2-enoic acid
PubChem CID82048815
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(E)-4-ethyl-3-phenylhex-2-enoic acid
SMILESCCC(CC)/C(=C\C(=O)O)c1ccccc1
InChIInChI=1S/C14H18O2/c1-3-11(4-2)13(10-14(15)16)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,15,16)/b13-10+
InChIKeyMABQKHSPVXOSEG-JLHYYAGUSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-ethyl-3-phenylhex-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-4-methylhex-2-en-3-yl]benzene
CID 12531537
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
tribenzoyl(ethyl)phosphanium
CID 67361318
6-methyl-3-phenylhept-2-enoic acid
CID 123162067
ethane;[(E)-4-methylhex-2-en-3-yl]benzene
CID 167452677
(E)-3-[4-(2-ethylbutoxy)phenyl]-3-phenylprop-2-enoic acid
CID 68864480
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
(Z)-3-(2-hydroxyphenyl)-4-methylpent-2-enoic acid
CID 115024567
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
(Z)-3-(methylamino)-3-phenylprop-2-enoic acid
CID 69082862
1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione
CID 102162472

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-3-phenylhex-2-enoic acid?
The IUPAC name of (E)-4-ethyl-3-phenylhex-2-enoic acid (CID 82048815) is (E)-4-ethyl-3-phenylhex-2-enoic acid.
What is the SMILES notation for (E)-4-ethyl-3-phenylhex-2-enoic acid?
The canonical SMILES for (E)-4-ethyl-3-phenylhex-2-enoic acid is CCC(CC)/C(=C\C(=O)O)c1ccccc1.
What is the InChIKey of (E)-4-ethyl-3-phenylhex-2-enoic acid?
The InChIKey is MABQKHSPVXOSEG-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-11(4-2)13(10-14(15)16)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,15,16)/b13-10+.
What are the key properties of (E)-4-ethyl-3-phenylhex-2-enoic acid?
(E)-4-ethyl-3-phenylhex-2-enoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-3-phenylhex-2-enoic acid is sourced from PubChem (CID 82048815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).