4-nonyl-2,6-bis(2-phenylethenyl)phenol

C31H36O — CID 54556617

IUPAC4-nonyl-2,6-bis(2-phenylethenyl)phenol
SMILESCCCCCCCCCc1cc(C=Cc2ccccc2)c(O)c(C=Cc2ccccc2)c1
InChIInChI=1S/C31H36O/c1-2-3-4-5-6-7-10-19-28-24-29(22-20-26-15-11-8-12-16-26)31(32)30(25-28)23-21-27-17-13-9-14-18-27/h8-9,11-18,20-25,32H,2-7,10,19H2,1H3
InChIKeyZNPMHTCZDUTQGG-UHFFFAOYSA-N
MW424.63 g/mol
LogP9.03
Rot. Bonds12

About 4-nonyl-2,6-bis(2-phenylethenyl)phenol

4-nonyl-2,6-bis(2-phenylethenyl)phenol (PubChem CID 54556617) has the molecular formula C31H36O and a molecular weight of 424.63 g/mol. Its IUPAC name is 4-nonyl-2,6-bis(2-phenylethenyl)phenol.

Molecular Properties

Compound Name4-nonyl-2,6-bis(2-phenylethenyl)phenol
PubChem CID54556617
Molecular FormulaC31H36O
Molecular Weight424.63 g/mol
Exact Mass424.28
IUPAC Name4-nonyl-2,6-bis(2-phenylethenyl)phenol
SMILESCCCCCCCCCc1cc(C=Cc2ccccc2)c(O)c(C=Cc2ccccc2)c1
InChIInChI=1S/C31H36O/c1-2-3-4-5-6-7-10-19-28-24-29(22-20-26-15-11-8-12-16-26)31(32)30(25-28)23-21-27-17-13-9-14-18-27/h8-9,11-18,20-25,32H,2-7,10,19H2,1H3
InChIKeyZNPMHTCZDUTQGG-UHFFFAOYSA-N
XLogP9.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-phenylethenyl)-2-tetradecylbenzene-1,3-diol
CID 66842936
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
4-icosyl-2,6-bis(1-phenylethyl)phenol
CID 70441667
hexylbenzene;hydrogen peroxide
CID 90001206
2-octylazulene
CID 101406191
pentan-1-ol;(E)-stilbene
CID 172553874
1,3,5-tris[(E)-2-(3,5-dihexylphenyl)ethenyl]benzene
CID 101355748
6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole
CID 67635508
1-octadec-9-enyl-2-(2-phenylethenyl)benzene
CID 91146060
2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol
CID 6071425
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of 4-nonyl-2,6-bis(2-phenylethenyl)phenol?
The IUPAC name of 4-nonyl-2,6-bis(2-phenylethenyl)phenol (CID 54556617) is 4-nonyl-2,6-bis(2-phenylethenyl)phenol.
What is the SMILES notation for 4-nonyl-2,6-bis(2-phenylethenyl)phenol?
The canonical SMILES for 4-nonyl-2,6-bis(2-phenylethenyl)phenol is CCCCCCCCCc1cc(C=Cc2ccccc2)c(O)c(C=Cc2ccccc2)c1.
What is the InChIKey of 4-nonyl-2,6-bis(2-phenylethenyl)phenol?
The InChIKey is ZNPMHTCZDUTQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36O/c1-2-3-4-5-6-7-10-19-28-24-29(22-20-26-15-11-8-12-16-26)31(32)30(25-28)23-21-27-17-13-9-14-18-27/h8-9,11-18,20-25,32H,2-7,10,19H2,1H3.
What are the key properties of 4-nonyl-2,6-bis(2-phenylethenyl)phenol?
4-nonyl-2,6-bis(2-phenylethenyl)phenol has a molecular weight of 424.63 g/mol, XLogP of 9.03, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonyl-2,6-bis(2-phenylethenyl)phenol is sourced from PubChem (CID 54556617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).