5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol

C16H25NO3 — CID 136798789

IUPAC5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol
SMILESCCCCCCOc1ccc(/C=N/CCCO)c(O)c1
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-11-20-15-8-7-14(16(19)12-15)13-17-9-6-10-18/h7-8,12-13,18-19H,2-6,9-11H2,1H3/b17-13+
InChIKeyPRKPTMIZGGFGEG-GHRIWEEISA-N
MW279.38 g/mol
LogP3.15
Rot. Bonds10

About 5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol

5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol (PubChem CID 136798789) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol.

Molecular Properties

Compound Name5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol
PubChem CID136798789
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol
SMILESCCCCCCOc1ccc(/C=N/CCCO)c(O)c1
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-11-20-15-8-7-14(16(19)12-15)13-17-9-6-10-18/h7-8,12-13,18-19H,2-6,9-11H2,1H3/b17-13+
InChIKeyPRKPTMIZGGFGEG-GHRIWEEISA-N
XLogP3.15
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.15
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-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136701680
5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
CID 136863779
5-nonadecoxy-2-(octadecyliminomethyl)phenol
CID 136694995
2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol
CID 136826625
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989
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
4-[4-[10-[4-(decyliminomethyl)-3-hydroxyphenoxy]decoxy]phenyl]benzonitrile
CID 136746193
2-[2-[(2-hydroxy-5-icosoxyphenyl)methylideneamino]ethyliminomethyl]-4-icosoxyphenol
CID 136723269

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol?
The IUPAC name of 5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol (CID 136798789) is 5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol.
What is the SMILES notation for 5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol?
The canonical SMILES for 5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol is CCCCCCOc1ccc(/C=N/CCCO)c(O)c1.
What is the InChIKey of 5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol?
The InChIKey is PRKPTMIZGGFGEG-GHRIWEEISA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-3-4-5-11-20-15-8-7-14(16(19)12-15)13-17-9-6-10-18/h7-8,12-13,18-19H,2-6,9-11H2,1H3/b17-13+.
What are the key properties of 5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol?
5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol has a molecular weight of 279.38 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol is sourced from PubChem (CID 136798789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).