4-[(1Z)-buta-1,3-dienyl]phenol

C10H10O — CID 45082834

IUPAC4-[(1Z)-buta-1,3-dienyl]phenol
SMILESC=C/C=C\c1ccc(O)cc1
InChIInChI=1S/C10H10O/c1-2-3-4-9-5-7-10(11)8-6-9/h2-8,11H,1H2/b4-3-
InChIKeyQPFTUXZQTWMAOU-ARJAWSKDSA-N
MW146.19 g/mol
LogP2.59
Rot. Bonds2

About 4-[(1Z)-buta-1,3-dienyl]phenol

4-[(1Z)-buta-1,3-dienyl]phenol (PubChem CID 45082834) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]phenol.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]phenol
PubChem CID45082834
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name4-[(1Z)-buta-1,3-dienyl]phenol
SMILESC=C/C=C\c1ccc(O)cc1
InChIInChI=1S/C10H10O/c1-2-3-4-9-5-7-10(11)8-6-9/h2-8,11H,1H2/b4-3-
InChIKeyQPFTUXZQTWMAOU-ARJAWSKDSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(1Z)-buta-1,3-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-[(1Z)-buta-1,3-dienyl]phenol?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]phenol (CID 45082834) is 4-[(1Z)-buta-1,3-dienyl]phenol.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]phenol?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]phenol is C=C/C=C\c1ccc(O)cc1.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]phenol?
The InChIKey is QPFTUXZQTWMAOU-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H10O/c1-2-3-4-9-5-7-10(11)8-6-9/h2-8,11H,1H2/b4-3-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]phenol?
4-[(1Z)-buta-1,3-dienyl]phenol has a molecular weight of 146.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]phenol is sourced from PubChem (CID 45082834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).