2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol

C26H36N2O4 — CID 136618032

IUPAC2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
SMILESCOc1ccc(/C=N/CCCCCCCCCC/N=C/c2ccc(OC)cc2O)c(O)c1
InChIInChI=1S/C26H36N2O4/c1-31-23-13-11-21(25(29)17-23)19-27-15-9-7-5-3-4-6-8-10-16-28-20-22-12-14-24(32-2)18-26(22)30/h11-14,17-20,29-30H,3-10,15-16H2,1-2H3/b27-19+,28-20+
InChIKeyLVDMAAWHGKDQRV-MKYUKRCKSA-N
MW440.58 g/mol
LogP5.77
Rot. Bonds15

About 2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol

2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol (PubChem CID 136618032) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
PubChem CID136618032
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
SMILESCOc1ccc(/C=N/CCCCCCCCCC/N=C/c2ccc(OC)cc2O)c(O)c1
InChIInChI=1S/C26H36N2O4/c1-31-23-13-11-21(25(29)17-23)19-27-15-9-7-5-3-4-6-8-10-16-28-20-22-12-14-24(32-2)18-26(22)30/h11-14,17-20,29-30H,3-10,15-16H2,1-2H3/b27-19+,28-20+
InChIKeyLVDMAAWHGKDQRV-MKYUKRCKSA-N
XLogP5.77
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol with MolForge

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Related Compounds

2-(ethyliminomethyl)-5-methoxyphenol
CID 144549332
acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese
CID 135509459
5-hexoxy-2-(hexyliminomethyl)phenol
CID 136673235
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
4-(octadecyliminomethyl)benzene-1,3-diol
CID 135714970
5-dodecoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136701680
5-hexoxy-2-(3-hydroxypropyliminomethyl)phenol
CID 136798789
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
CID 136863779
2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
CID 137082870

Frequently Asked Questions

What is the IUPAC name of 2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol?
The IUPAC name of 2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol (CID 136618032) is 2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol?
The canonical SMILES for 2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol is COc1ccc(/C=N/CCCCCCCCCC/N=C/c2ccc(OC)cc2O)c(O)c1.
What is the InChIKey of 2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol?
The InChIKey is LVDMAAWHGKDQRV-MKYUKRCKSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-31-23-13-11-21(25(29)17-23)19-27-15-9-7-5-3-4-6-8-10-16-28-20-22-12-14-24(32-2)18-26(22)30/h11-14,17-20,29-30H,3-10,15-16H2,1-2H3/b27-19+,28-20+.
What are the key properties of 2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol?
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol has a molecular weight of 440.58 g/mol, XLogP of 5.77, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol is sourced from PubChem (CID 136618032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).