4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol

C13H14O2 — CID 88956129

IUPAC4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol
SMILESC/C=C\C(O)=C/C=C/c1ccc(O)cc1
InChIInChI=1S/C13H14O2/c1-2-4-12(14)6-3-5-11-7-9-13(15)10-8-11/h2-10,14-15H,1H3/b4-2-,5-3+,12-6+
InChIKeyXZXSOECWYODMHO-KZJPXWPMSA-N
MW202.25 g/mol
LogP3.42
Rot. Bonds3

About 4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol

4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol (PubChem CID 88956129) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol.

Molecular Properties

Compound Name4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol
PubChem CID88956129
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol
SMILESC/C=C\C(O)=C/C=C/c1ccc(O)cc1
InChIInChI=1S/C13H14O2/c1-2-4-12(14)6-3-5-11-7-9-13(15)10-8-11/h2-10,14-15H,1H3/b4-2-,5-3+,12-6+
InChIKeyXZXSOECWYODMHO-KZJPXWPMSA-N
XLogP3.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol?
The IUPAC name of 4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol (CID 88956129) is 4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol.
What is the SMILES notation for 4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol?
The canonical SMILES for 4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol is C/C=C\C(O)=C/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol?
The InChIKey is XZXSOECWYODMHO-KZJPXWPMSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-4-12(14)6-3-5-11-7-9-13(15)10-8-11/h2-10,14-15H,1H3/b4-2-,5-3+,12-6+.
What are the key properties of 4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol?
4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol has a molecular weight of 202.25 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol is sourced from PubChem (CID 88956129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).