2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

C25H31NO2 — CID 135965975

IUPAC2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/CCCCCC)c(O)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C25H31NO2/c1-4-7-8-9-14-26-18-22-15-19(10-5-2)16-23(25(22)28)20-12-13-24(27)21(17-20)11-6-3/h5-6,12-13,15-18,27-28H,2-4,7-11,14H2,1H3/b26-18+
InChIKeyVZEQIENGKHUSNX-NLRVBDNBSA-N
MW377.53 g/mol
LogP6.22
Rot. Bonds11

About 2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol (PubChem CID 135965975) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
PubChem CID135965975
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/CCCCCC)c(O)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C25H31NO2/c1-4-7-8-9-14-26-18-22-15-19(10-5-2)16-23(25(22)28)20-12-13-24(27)21(17-20)11-6-3/h5-6,12-13,15-18,27-28H,2-4,7-11,14H2,1H3/b26-18+
InChIKeyVZEQIENGKHUSNX-NLRVBDNBSA-N
XLogP6.22
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The IUPAC name of 2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol (CID 135965975) is 2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol.
What is the SMILES notation for 2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The canonical SMILES for 2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol is C=CCc1cc(/C=N/CCCCCC)c(O)c(-c2ccc(O)c(CC=C)c2)c1.
What is the InChIKey of 2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The InChIKey is VZEQIENGKHUSNX-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H31NO2/c1-4-7-8-9-14-26-18-22-15-19(10-5-2)16-23(25(22)28)20-12-13-24(27)21(17-20)11-6-3/h5-6,12-13,15-18,27-28H,2-4,7-11,14H2,1H3/b26-18+.
What are the key properties of 2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol has a molecular weight of 377.53 g/mol, XLogP of 6.22, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexyliminomethyl)-6-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol is sourced from PubChem (CID 135965975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).