(E)-6-phenylhex-2-enal

C12H14O — CID 5368478

IUPAC(E)-6-phenylhex-2-enal
SMILESO=C/C=C/CCCc1ccccc1
InChIInChI=1S/C12H14O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h2-3,5-7,9-11H,1,4,8H2/b7-2+
InChIKeyJDOAIIWUMRRAQV-FARCUNLSSA-N
MW174.24 g/mol
LogP2.76
Rot. Bonds5

About (E)-6-phenylhex-2-enal

(E)-6-phenylhex-2-enal (PubChem CID 5368478) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (E)-6-phenylhex-2-enal.

Molecular Properties

Compound Name(E)-6-phenylhex-2-enal
PubChem CID5368478
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(E)-6-phenylhex-2-enal
SMILESO=C/C=C/CCCc1ccccc1
InChIInChI=1S/C12H14O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h2-3,5-7,9-11H,1,4,8H2/b7-2+
InChIKeyJDOAIIWUMRRAQV-FARCUNLSSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-6-phenylhex-2-enal 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)-5-bromopent-4-enyl]benzene
CID 15076450
(2E,7E,9E)-11-phenylmethoxyundeca-2,7,9-trienal
CID 11818089
N-methyl-7-phenylhept-3-en-1-amine
CID 79592715
5-phenylpent-1-ene-1-sulfonic acid
CID 54140534
N-methyl-N-[(2E,4E)-10-phenyldeca-2,4-dienyl]formamide
CID 121306712
[(E)-6-oxohex-4-enyl] benzoate
CID 102059213
dodec-4-enylbenzene
CID 54018856
heptadec-4-enylbenzene
CID 173163087
2-[(E)-5-phenylpent-1-enyl]pyridine
CID 132566221
4-phenylbutylbenzene
CID 141301927
N-(9-phenylnon-2-enyl)formamide
CID 123527841
N,N-dimethyl-9-phenylnona-2,4-dienamide
CID 123716646

Frequently Asked Questions

What is the IUPAC name of (E)-6-phenylhex-2-enal?
The IUPAC name of (E)-6-phenylhex-2-enal (CID 5368478) is (E)-6-phenylhex-2-enal.
What is the SMILES notation for (E)-6-phenylhex-2-enal?
The canonical SMILES for (E)-6-phenylhex-2-enal is O=C/C=C/CCCc1ccccc1.
What is the InChIKey of (E)-6-phenylhex-2-enal?
The InChIKey is JDOAIIWUMRRAQV-FARCUNLSSA-N. The full InChI is InChI=1S/C12H14O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h2-3,5-7,9-11H,1,4,8H2/b7-2+.
What are the key properties of (E)-6-phenylhex-2-enal?
(E)-6-phenylhex-2-enal has a molecular weight of 174.24 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-phenylhex-2-enal is sourced from PubChem (CID 5368478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).