5-dodecoxy-2-(2-phenylethyliminomethyl)phenol

C27H39NO2 — CID 139071672

IUPAC5-dodecoxy-2-(2-phenylethyliminomethyl)phenol
SMILESCCCCCCCCCCCCOc1ccc(/C=N/CCc2ccccc2)c(O)c1
InChIInChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-14-21-30-26-18-17-25(27(29)22-26)23-28-20-19-24-15-12-11-13-16-24/h11-13,15-18,22-23,29H,2-10,14,19-21H2,1H3/b28-23+
InChIKeyHGQQGRMDTKIWFN-WEMUOSSPSA-N
MW409.61 g/mol
LogP7.35
Rot. Bonds16

About 5-dodecoxy-2-(2-phenylethyliminomethyl)phenol

5-dodecoxy-2-(2-phenylethyliminomethyl)phenol (PubChem CID 139071672) has the molecular formula C27H39NO2 and a molecular weight of 409.61 g/mol. Its IUPAC name is 5-dodecoxy-2-(2-phenylethyliminomethyl)phenol.

Molecular Properties

Compound Name5-dodecoxy-2-(2-phenylethyliminomethyl)phenol
PubChem CID139071672
Molecular FormulaC27H39NO2
Molecular Weight409.61 g/mol
Exact Mass409.30
IUPAC Name5-dodecoxy-2-(2-phenylethyliminomethyl)phenol
SMILESCCCCCCCCCCCCOc1ccc(/C=N/CCc2ccccc2)c(O)c1
InChIInChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-14-21-30-26-18-17-25(27(29)22-26)23-28-20-19-24-15-12-11-13-16-24/h11-13,15-18,22-23,29H,2-10,14,19-21H2,1H3/b28-23+
InChIKeyHGQQGRMDTKIWFN-WEMUOSSPSA-N
XLogP7.35
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-nonadecoxy-2-(octadecyliminomethyl)phenol
CID 136694995
2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol
CID 136826625
5-hexoxy-2-(hexyliminomethyl)phenol
CID 136673235
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989
5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
CID 136863779
5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136798789
5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136701680
2-[2-[bis[2-[(4-dodecoxy-2-hydroxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-5-dodecoxyphenol
CID 136857743
5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 136897173
5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 136808055
5-[[3,5-di(triacontoxy)phenyl]methoxy]-2-[2-[2-[2-[[4-[[3,5-di(triacontoxy)phenyl]methoxy]-2-hydroxyphenyl]methylideneamino]ethylamino]ethylamino]ethyliminomethyl]phenol
CID 136866393
2-[(4-decylphenyl)iminomethyl]-5-dodecoxyphenol
CID 136819970

Frequently Asked Questions

What is the IUPAC name of 5-dodecoxy-2-(2-phenylethyliminomethyl)phenol?
The IUPAC name of 5-dodecoxy-2-(2-phenylethyliminomethyl)phenol (CID 139071672) is 5-dodecoxy-2-(2-phenylethyliminomethyl)phenol.
What is the SMILES notation for 5-dodecoxy-2-(2-phenylethyliminomethyl)phenol?
The canonical SMILES for 5-dodecoxy-2-(2-phenylethyliminomethyl)phenol is CCCCCCCCCCCCOc1ccc(/C=N/CCc2ccccc2)c(O)c1.
What is the InChIKey of 5-dodecoxy-2-(2-phenylethyliminomethyl)phenol?
The InChIKey is HGQQGRMDTKIWFN-WEMUOSSPSA-N. The full InChI is InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-14-21-30-26-18-17-25(27(29)22-26)23-28-20-19-24-15-12-11-13-16-24/h11-13,15-18,22-23,29H,2-10,14,19-21H2,1H3/b28-23+.
What are the key properties of 5-dodecoxy-2-(2-phenylethyliminomethyl)phenol?
5-dodecoxy-2-(2-phenylethyliminomethyl)phenol has a molecular weight of 409.61 g/mol, XLogP of 7.35, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecoxy-2-(2-phenylethyliminomethyl)phenol is sourced from PubChem (CID 139071672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).