5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol

C17H28N2O3 — CID 136808055

IUPAC5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
SMILESCCCCCCOc1ccc(/C=N/CCNCCO)c(O)c1
InChIInChI=1S/C17H28N2O3/c1-2-3-4-5-12-22-16-7-6-15(17(21)13-16)14-19-9-8-18-10-11-20/h6-7,13-14,18,20-21H,2-5,8-12H2,1H3/b19-14+
InChIKeyCPFGBEVEVDKEJQ-XMHGGMMESA-N
MW308.42 g/mol
LogP2.35
Rot. Bonds12

About 5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol

5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol (PubChem CID 136808055) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol.

Molecular Properties

Compound Name5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
PubChem CID136808055
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
SMILESCCCCCCOc1ccc(/C=N/CCNCCO)c(O)c1
InChIInChI=1S/C17H28N2O3/c1-2-3-4-5-12-22-16-7-6-15(17(21)13-16)14-19-9-8-18-10-11-20/h6-7,13-14,18,20-21H,2-5,8-12H2,1H3/b19-14+
InChIKeyCPFGBEVEVDKEJQ-XMHGGMMESA-N
XLogP2.35
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
CID 136863779
5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136798789
5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136701680
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
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
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

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
The IUPAC name of 5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol (CID 136808055) is 5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol.
What is the SMILES notation for 5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
The canonical SMILES for 5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol is CCCCCCOc1ccc(/C=N/CCNCCO)c(O)c1.
What is the InChIKey of 5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
The InChIKey is CPFGBEVEVDKEJQ-XMHGGMMESA-N. The full InChI is InChI=1S/C17H28N2O3/c1-2-3-4-5-12-22-16-7-6-15(17(21)13-16)14-19-9-8-18-10-11-20/h6-7,13-14,18,20-21H,2-5,8-12H2,1H3/b19-14+.
What are the key properties of 5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol has a molecular weight of 308.42 g/mol, XLogP of 2.35, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol is sourced from PubChem (CID 136808055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).