4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol

C15H16O2 — CID 167353399

IUPAC4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol
SMILESC=C/C=C(\C=C\C=C\c1ccc(O)cc1)CO
InChIInChI=1S/C15H16O2/c1-2-5-14(12-16)7-4-3-6-13-8-10-15(17)11-9-13/h2-11,16-17H,1,12H2/b6-3+,7-4+,14-5+
InChIKeyWVMZDWXQBBSORZ-HNWNVJIXSA-N
MW228.29 g/mol
LogP3.07
Rot. Bonds5

About 4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol

4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol (PubChem CID 167353399) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol.

Molecular Properties

Compound Name4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol
PubChem CID167353399
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol
SMILESC=C/C=C(\C=C\C=C\c1ccc(O)cc1)CO
InChIInChI=1S/C15H16O2/c1-2-5-14(12-16)7-4-3-6-13-8-10-15(17)11-9-13/h2-11,16-17H,1,12H2/b6-3+,7-4+,14-5+
InChIKeyWVMZDWXQBBSORZ-HNWNVJIXSA-N
XLogP3.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol?
The IUPAC name of 4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol (CID 167353399) is 4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol.
What is the SMILES notation for 4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol?
The canonical SMILES for 4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol is C=C/C=C(\C=C\C=C\c1ccc(O)cc1)CO.
What is the InChIKey of 4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol?
The InChIKey is WVMZDWXQBBSORZ-HNWNVJIXSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-5-14(12-16)7-4-3-6-13-8-10-15(17)11-9-13/h2-11,16-17H,1,12H2/b6-3+,7-4+,14-5+.
What are the key properties of 4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol?
4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol has a molecular weight of 228.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E,5E)-5-(hydroxymethyl)octa-1,3,5,7-tetraenyl]phenol is sourced from PubChem (CID 167353399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).