2-hydroxy-4-phenylpent-4-enal

C11H12O2 — CID 134964349

IUPAC2-hydroxy-4-phenylpent-4-enal
SMILESC=C(CC(O)C=O)c1ccccc1
InChIInChI=1S/C11H12O2/c1-9(7-11(13)8-12)10-5-3-2-4-6-10/h2-6,8,11,13H,1,7H2
InChIKeyORBFFVRBUSMOLU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.65
Rot. Bonds4

About 2-hydroxy-4-phenylpent-4-enal

2-hydroxy-4-phenylpent-4-enal (PubChem CID 134964349) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-hydroxy-4-phenylpent-4-enal.

Molecular Properties

Compound Name2-hydroxy-4-phenylpent-4-enal
PubChem CID134964349
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-hydroxy-4-phenylpent-4-enal
SMILESC=C(CC(O)C=O)c1ccccc1
InChIInChI=1S/C11H12O2/c1-9(7-11(13)8-12)10-5-3-2-4-6-10/h2-6,8,11,13H,1,7H2
InChIKeyORBFFVRBUSMOLU-UHFFFAOYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-phenylpent-4-enal?
The IUPAC name of 2-hydroxy-4-phenylpent-4-enal (CID 134964349) is 2-hydroxy-4-phenylpent-4-enal.
What is the SMILES notation for 2-hydroxy-4-phenylpent-4-enal?
The canonical SMILES for 2-hydroxy-4-phenylpent-4-enal is C=C(CC(O)C=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-4-phenylpent-4-enal?
The InChIKey is ORBFFVRBUSMOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-9(7-11(13)8-12)10-5-3-2-4-6-10/h2-6,8,11,13H,1,7H2.
What are the key properties of 2-hydroxy-4-phenylpent-4-enal?
2-hydroxy-4-phenylpent-4-enal has a molecular weight of 176.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-phenylpent-4-enal is sourced from PubChem (CID 134964349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).