4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol

C18H16O2 — CID 11587026

IUPAC4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
SMILESOc1ccc(/C=C/C=C/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C18H16O2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h1-14,19-20H/b2-1+,5-3+,6-4+
InChIKeyFXGYAFMJWIVHGO-CRQXNEITSA-N
MW264.32 g/mol
LogP4.38
Rot. Bonds4

About 4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol

4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol (PubChem CID 11587026) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol.

Molecular Properties

Compound Name4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
PubChem CID11587026
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
SMILESOc1ccc(/C=C/C=C/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C18H16O2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h1-14,19-20H/b2-1+,5-3+,6-4+
InChIKeyFXGYAFMJWIVHGO-CRQXNEITSA-N
XLogP4.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.38
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)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol?
The IUPAC name of 4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol (CID 11587026) is 4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol.
What is the SMILES notation for 4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol?
The canonical SMILES for 4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol is Oc1ccc(/C=C/C=C/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol?
The InChIKey is FXGYAFMJWIVHGO-CRQXNEITSA-N. The full InChI is InChI=1S/C18H16O2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h1-14,19-20H/b2-1+,5-3+,6-4+.
What are the key properties of 4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol?
4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol has a molecular weight of 264.32 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol is sourced from PubChem (CID 11587026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).