2,6-dihexyl-4-prop-2-enylphenol

C21H34O — CID 19799403

IUPAC2,6-dihexyl-4-prop-2-enylphenol
SMILESC=CCc1cc(CCCCCC)c(O)c(CCCCCC)c1
InChIInChI=1S/C21H34O/c1-4-7-9-11-14-19-16-18(13-6-3)17-20(21(19)22)15-12-10-8-5-2/h6,16-17,22H,3-5,7-15H2,1-2H3
InChIKeyNLZDURYEDUPXKT-UHFFFAOYSA-N
MW302.50 g/mol
LogP6.37
Rot. Bonds12

About 2,6-dihexyl-4-prop-2-enylphenol

2,6-dihexyl-4-prop-2-enylphenol (PubChem CID 19799403) has the molecular formula C21H34O and a molecular weight of 302.50 g/mol. Its IUPAC name is 2,6-dihexyl-4-prop-2-enylphenol.

Molecular Properties

Compound Name2,6-dihexyl-4-prop-2-enylphenol
PubChem CID19799403
Molecular FormulaC21H34O
Molecular Weight302.50 g/mol
Exact Mass302.26
IUPAC Name2,6-dihexyl-4-prop-2-enylphenol
SMILESC=CCc1cc(CCCCCC)c(O)c(CCCCCC)c1
InChIInChI=1S/C21H34O/c1-4-7-9-11-14-19-16-18(13-6-3)17-20(21(19)22)15-12-10-8-5-2/h6,16-17,22H,3-5,7-15H2,1-2H3
InChIKeyNLZDURYEDUPXKT-UHFFFAOYSA-N
XLogP6.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dihexyl-4-prop-2-enylphenol?
The IUPAC name of 2,6-dihexyl-4-prop-2-enylphenol (CID 19799403) is 2,6-dihexyl-4-prop-2-enylphenol.
What is the SMILES notation for 2,6-dihexyl-4-prop-2-enylphenol?
The canonical SMILES for 2,6-dihexyl-4-prop-2-enylphenol is C=CCc1cc(CCCCCC)c(O)c(CCCCCC)c1.
What is the InChIKey of 2,6-dihexyl-4-prop-2-enylphenol?
The InChIKey is NLZDURYEDUPXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O/c1-4-7-9-11-14-19-16-18(13-6-3)17-20(21(19)22)15-12-10-8-5-2/h6,16-17,22H,3-5,7-15H2,1-2H3.
What are the key properties of 2,6-dihexyl-4-prop-2-enylphenol?
2,6-dihexyl-4-prop-2-enylphenol has a molecular weight of 302.50 g/mol, XLogP of 6.37, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihexyl-4-prop-2-enylphenol is sourced from PubChem (CID 19799403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).