4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol

C16H20O — CID 163004264

IUPAC4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol
SMILESC=CC(C)(C)C(=Cc1ccc(O)cc1)C(=C)C
InChIInChI=1S/C16H20O/c1-6-16(4,5)15(12(2)3)11-13-7-9-14(17)10-8-13/h6-11,17H,1-2H2,3-5H3
InChIKeyPKUFKRZKPOCIRZ-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.56
Rot. Bonds4

About 4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol

4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol (PubChem CID 163004264) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol.

Molecular Properties

Compound Name4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol
PubChem CID163004264
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol
SMILESC=CC(C)(C)C(=Cc1ccc(O)cc1)C(=C)C
InChIInChI=1S/C16H20O/c1-6-16(4,5)15(12(2)3)11-13-7-9-14(17)10-8-13/h6-11,17H,1-2H2,3-5H3
InChIKeyPKUFKRZKPOCIRZ-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol 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 4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol?
The IUPAC name of 4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol (CID 163004264) is 4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol.
What is the SMILES notation for 4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol?
The canonical SMILES for 4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol is C=CC(C)(C)C(=Cc1ccc(O)cc1)C(=C)C.
What is the InChIKey of 4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol?
The InChIKey is PKUFKRZKPOCIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-6-16(4,5)15(12(2)3)11-13-7-9-14(17)10-8-13/h6-11,17H,1-2H2,3-5H3.
What are the key properties of 4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol?
4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol has a molecular weight of 228.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2-prop-1-en-2-ylpenta-1,4-dienyl)phenol is sourced from PubChem (CID 163004264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).