3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal

C15H18O2 — CID 88801025

IUPAC3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal
SMILESC=CCc1cc(CCC=O)cc(CC=C)c1O
InChIInChI=1S/C15H18O2/c1-3-6-13-10-12(8-5-9-16)11-14(7-4-2)15(13)17/h3-4,9-11,17H,1-2,5-8H2
InChIKeyPAGWTXLFZVLWGS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.98
Rot. Bonds7

About 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal

3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal (PubChem CID 88801025) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal.

Molecular Properties

Compound Name3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal
PubChem CID88801025
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal
SMILESC=CCc1cc(CCC=O)cc(CC=C)c1O
InChIInChI=1S/C15H18O2/c1-3-6-13-10-12(8-5-9-16)11-14(7-4-2)15(13)17/h3-4,9-11,17H,1-2,5-8H2
InChIKeyPAGWTXLFZVLWGS-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal?
The IUPAC name of 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal (CID 88801025) is 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal.
What is the SMILES notation for 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal?
The canonical SMILES for 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal is C=CCc1cc(CCC=O)cc(CC=C)c1O.
What is the InChIKey of 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal?
The InChIKey is PAGWTXLFZVLWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-6-13-10-12(8-5-9-16)11-14(7-4-2)15(13)17/h3-4,9-11,17H,1-2,5-8H2.
What are the key properties of 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal?
3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal has a molecular weight of 230.31 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal is sourced from PubChem (CID 88801025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).