5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol

C25H43NO3 — CID 136863779

IUPAC5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
SMILESCCCCCCCCCCCCCCCCOc1ccc(/C=N/CCO)c(O)c1
InChIInChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-24-17-16-23(25(28)21-24)22-26-18-19-27/h16-17,21-22,27-28H,2-15,18-20H2,1H3/b26-22+
InChIKeyMABKWBMSNYKXTC-XTCLZLMSSA-N
MW405.62 g/mol
LogP6.66
Rot. Bonds19

About 5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol

5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol (PubChem CID 136863779) has the molecular formula C25H43NO3 and a molecular weight of 405.62 g/mol. Its IUPAC name is 5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol.

Molecular Properties

Compound Name5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
PubChem CID136863779
Molecular FormulaC25H43NO3
Molecular Weight405.62 g/mol
Exact Mass405.32
IUPAC Name5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
SMILESCCCCCCCCCCCCCCCCOc1ccc(/C=N/CCO)c(O)c1
InChIInChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-24-17-16-23(25(28)21-24)22-26-18-19-27/h16-17,21-22,27-28H,2-15,18-20H2,1H3/b26-22+
InChIKeyMABKWBMSNYKXTC-XTCLZLMSSA-N
XLogP6.66
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.62
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hexoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136798789
5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136701680
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989
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
5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 136808055
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-dodecoxy-2-(2-phenylethyliminomethyl)phenol
CID 139071672
2-[2-[(2-hydroxy-5-icosoxyphenyl)methylideneamino]ethyliminomethyl]-4-icosoxyphenol
CID 136723269
[4-(heptyliminomethyl)-3-hydroxyphenyl] 4-decoxybenzoate
CID 136721038

Frequently Asked Questions

What is the IUPAC name of 5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol?
The IUPAC name of 5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol (CID 136863779) is 5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol.
What is the SMILES notation for 5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol?
The canonical SMILES for 5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol is CCCCCCCCCCCCCCCCOc1ccc(/C=N/CCO)c(O)c1.
What is the InChIKey of 5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol?
The InChIKey is MABKWBMSNYKXTC-XTCLZLMSSA-N. The full InChI is InChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-24-17-16-23(25(28)21-24)22-26-18-19-27/h16-17,21-22,27-28H,2-15,18-20H2,1H3/b26-22+.
What are the key properties of 5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol?
5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol has a molecular weight of 405.62 g/mol, XLogP of 6.66, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol is sourced from PubChem (CID 136863779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).