5-hexoxy-2-(hexyliminomethyl)phenol

C19H31NO2 — CID 136673235

IUPAC5-hexoxy-2-(hexyliminomethyl)phenol
SMILESCCCCCC/N=C/c1ccc(OCCCCCC)cc1O
InChIInChI=1S/C19H31NO2/c1-3-5-7-9-13-20-16-17-11-12-18(15-19(17)21)22-14-10-8-6-4-2/h11-12,15-16,21H,3-10,13-14H2,1-2H3/b20-16+
InChIKeyPFDQAYNJKRBKAW-CAPFRKAQSA-N
MW305.46 g/mol
LogP5.35
Rot. Bonds12

About 5-hexoxy-2-(hexyliminomethyl)phenol

5-hexoxy-2-(hexyliminomethyl)phenol (PubChem CID 136673235) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 5-hexoxy-2-(hexyliminomethyl)phenol.

Molecular Properties

Compound Name5-hexoxy-2-(hexyliminomethyl)phenol
PubChem CID136673235
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name5-hexoxy-2-(hexyliminomethyl)phenol
SMILESCCCCCC/N=C/c1ccc(OCCCCCC)cc1O
InChIInChI=1S/C19H31NO2/c1-3-5-7-9-13-20-16-17-11-12-18(15-19(17)21)22-14-10-8-6-4-2/h11-12,15-16,21H,3-10,13-14H2,1-2H3/b20-16+
InChIKeyPFDQAYNJKRBKAW-CAPFRKAQSA-N
XLogP5.35
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.35
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
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989
5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136701680
5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136798789
5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
CID 136863779
2-[2-[bis[2-[(4-dodecoxy-2-hydroxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-5-dodecoxyphenol
CID 136857743
4-[4-[10-[4-(decyliminomethyl)-3-hydroxyphenoxy]decoxy]phenyl]benzonitrile
CID 136746193
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-dodecoxy-2-(2-phenylethyliminomethyl)phenol
CID 139071672
[4-(heptyliminomethyl)-3-hydroxyphenyl] 4-decoxybenzoate
CID 136721038

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-2-(hexyliminomethyl)phenol?
The IUPAC name of 5-hexoxy-2-(hexyliminomethyl)phenol (CID 136673235) is 5-hexoxy-2-(hexyliminomethyl)phenol.
What is the SMILES notation for 5-hexoxy-2-(hexyliminomethyl)phenol?
The canonical SMILES for 5-hexoxy-2-(hexyliminomethyl)phenol is CCCCCC/N=C/c1ccc(OCCCCCC)cc1O.
What is the InChIKey of 5-hexoxy-2-(hexyliminomethyl)phenol?
The InChIKey is PFDQAYNJKRBKAW-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-5-7-9-13-20-16-17-11-12-18(15-19(17)21)22-14-10-8-6-4-2/h11-12,15-16,21H,3-10,13-14H2,1-2H3/b20-16+.
What are the key properties of 5-hexoxy-2-(hexyliminomethyl)phenol?
5-hexoxy-2-(hexyliminomethyl)phenol has a molecular weight of 305.46 g/mol, XLogP of 5.35, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-2-(hexyliminomethyl)phenol is sourced from PubChem (CID 136673235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).