(4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol

C20H24O2 — CID 58935080

IUPAC(4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol
SMILESC/C=C/C=C/c1ccccc1/C=C/C=C/C=C/C(O)C(C)O
InChIInChI=1S/C20H24O2/c1-3-4-7-12-18-14-10-11-15-19(18)13-8-5-6-9-16-20(22)17(2)21/h3-17,20-22H,1-2H3/b4-3+,6-5+,12-7+,13-8+,16-9+
InChIKeyFRGLBHCNWJWIPR-FZPCCFHPSA-N
MW296.41 g/mol
LogP4.14
Rot. Bonds7

About (4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol

(4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol (PubChem CID 58935080) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is (4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol.

Molecular Properties

Compound Name(4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol
PubChem CID58935080
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name(4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol
SMILESC/C=C/C=C/c1ccccc1/C=C/C=C/C=C/C(O)C(C)O
InChIInChI=1S/C20H24O2/c1-3-4-7-12-18-14-10-11-15-19(18)13-8-5-6-9-16-20(22)17(2)21/h3-17,20-22H,1-2H3/b4-3+,6-5+,12-7+,13-8+,16-9+
InChIKeyFRGLBHCNWJWIPR-FZPCCFHPSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.14
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 (4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol?
The IUPAC name of (4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol (CID 58935080) is (4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol.
What is the SMILES notation for (4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol?
The canonical SMILES for (4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol is C/C=C/C=C/c1ccccc1/C=C/C=C/C=C/C(O)C(C)O.
What is the InChIKey of (4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol?
The InChIKey is FRGLBHCNWJWIPR-FZPCCFHPSA-N. The full InChI is InChI=1S/C20H24O2/c1-3-4-7-12-18-14-10-11-15-19(18)13-8-5-6-9-16-20(22)17(2)21/h3-17,20-22H,1-2H3/b4-3+,6-5+,12-7+,13-8+,16-9+.
What are the key properties of (4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol?
(4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol has a molecular weight of 296.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol is sourced from PubChem (CID 58935080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).