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

C22H37NO3 — CID 136701680

IUPAC5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
SMILESCCCCCCCCCCCCOc1ccc(/C=N/CCCO)c(O)c1
InChIInChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-10-11-17-26-21-14-13-20(22(25)18-21)19-23-15-12-16-24/h13-14,18-19,24-25H,2-12,15-17H2,1H3/b23-19+
InChIKeyDTKWVRPEQLRTSE-FCDQGJHFSA-N
MW363.54 g/mol
LogP5.49
Rot. Bonds16

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

5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol (PubChem CID 136701680) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is 5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol.

Molecular Properties

Compound Name5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
PubChem CID136701680
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
SMILESCCCCCCCCCCCCOc1ccc(/C=N/CCCO)c(O)c1
InChIInChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-10-11-17-26-21-14-13-20(22(25)18-21)19-23-15-12-16-24/h13-14,18-19,24-25H,2-12,15-17H2,1H3/b23-19+
InChIKeyDTKWVRPEQLRTSE-FCDQGJHFSA-N
XLogP5.49
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 55.49
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-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
5-hexoxy-2-(hexyliminomethyl)phenol
CID 136673235
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989
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-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol?
The IUPAC name of 5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol (CID 136701680) is 5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol.
What is the SMILES notation for 5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol?
The canonical SMILES for 5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol is CCCCCCCCCCCCOc1ccc(/C=N/CCCO)c(O)c1.
What is the InChIKey of 5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol?
The InChIKey is DTKWVRPEQLRTSE-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-10-11-17-26-21-14-13-20(22(25)18-21)19-23-15-12-16-24/h13-14,18-19,24-25H,2-12,15-17H2,1H3/b23-19+.
What are the key properties of 5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol?
5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol has a molecular weight of 363.54 g/mol, XLogP of 5.49, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol is sourced from PubChem (CID 136701680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).