(E)-4-phenylbut-2-enal

C10H10O — CID 11008054

IUPAC(E)-4-phenylbut-2-enal
SMILESO=C/C=C/Cc1ccccc1
InChIInChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-7,9H,8H2/b5-4+
InChIKeyWLNLUFZWBZXINT-SNAWJCMRSA-N
MW146.19 g/mol
LogP1.98
Rot. Bonds3

About (E)-4-phenylbut-2-enal

(E)-4-phenylbut-2-enal (PubChem CID 11008054) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is (E)-4-phenylbut-2-enal.

Molecular Properties

Compound Name(E)-4-phenylbut-2-enal
PubChem CID11008054
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name(E)-4-phenylbut-2-enal
SMILESO=C/C=C/Cc1ccccc1
InChIInChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-7,9H,8H2/b5-4+
InChIKeyWLNLUFZWBZXINT-SNAWJCMRSA-N
XLogP1.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-phenylbut-2-enal?
The IUPAC name of (E)-4-phenylbut-2-enal (CID 11008054) is (E)-4-phenylbut-2-enal.
What is the SMILES notation for (E)-4-phenylbut-2-enal?
The canonical SMILES for (E)-4-phenylbut-2-enal is O=C/C=C/Cc1ccccc1.
What is the InChIKey of (E)-4-phenylbut-2-enal?
The InChIKey is WLNLUFZWBZXINT-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-7,9H,8H2/b5-4+.
What are the key properties of (E)-4-phenylbut-2-enal?
(E)-4-phenylbut-2-enal has a molecular weight of 146.19 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenylbut-2-enal is sourced from PubChem (CID 11008054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).