5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol

C19H20O2 — CID 71488581

IUPAC5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(/C=C/C=C/c2ccccc2)cc1O
InChIInChI=1S/C19H20O2/c1-14(2)19-17(20)12-16(13-18(19)21)11-7-6-10-15-8-4-3-5-9-15/h3-14,20-21H,1-2H3/b10-6+,11-7+
InChIKeyPZURRMYKRMFEHY-JMQWPVDRSA-N
MW280.37 g/mol
LogP4.95
Rot. Bonds4

About 5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol

5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol (PubChem CID 71488581) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
PubChem CID71488581
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(/C=C/C=C/c2ccccc2)cc1O
InChIInChI=1S/C19H20O2/c1-14(2)19-17(20)12-16(13-18(19)21)11-7-6-10-15-8-4-3-5-9-15/h3-14,20-21H,1-2H3/b10-6+,11-7+
InChIKeyPZURRMYKRMFEHY-JMQWPVDRSA-N
XLogP4.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol 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 5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol (CID 71488581) is 5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol is CC(C)c1c(O)cc(/C=C/C=C/c2ccccc2)cc1O.
What is the InChIKey of 5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol?
The InChIKey is PZURRMYKRMFEHY-JMQWPVDRSA-N. The full InChI is InChI=1S/C19H20O2/c1-14(2)19-17(20)12-16(13-18(19)21)11-7-6-10-15-8-4-3-5-9-15/h3-14,20-21H,1-2H3/b10-6+,11-7+.
What are the key properties of 5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol?
5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol has a molecular weight of 280.37 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 71488581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).