2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol

C19H23NO4 — CID 135657460

IUPAC2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1ccc(OCC)c(/N=C/c2cccc(OCC)c2O)c1
InChIInChI=1S/C19H23NO4/c1-4-22-15-10-11-17(23-5-2)16(12-15)20-13-14-8-7-9-18(19(14)21)24-6-3/h7-13,21H,4-6H2,1-3H3/b20-13+
InChIKeyKIDMQCJUGGOVGB-DEDYPNTBSA-N
MW329.40 g/mol
LogP4.34
Rot. Bonds8

About 2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol

2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol (PubChem CID 135657460) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
PubChem CID135657460
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1ccc(OCC)c(/N=C/c2cccc(OCC)c2O)c1
InChIInChI=1S/C19H23NO4/c1-4-22-15-10-11-17(23-5-2)16(12-15)20-13-14-8-7-9-18(19(14)21)24-6-3/h7-13,21H,4-6H2,1-3H3/b20-13+
InChIKeyKIDMQCJUGGOVGB-DEDYPNTBSA-N
XLogP4.34
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135595380
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-[(2-chloro-5-fluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135657485
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135657486
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol
CID 3465274
2-ethoxy-6-(5,6,7,8-tetrahydronaphthalen-1-yliminomethyl)phenol
CID 135657451

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol?
The IUPAC name of 2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol (CID 135657460) is 2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol is CCOc1ccc(OCC)c(/N=C/c2cccc(OCC)c2O)c1.
What is the InChIKey of 2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol?
The InChIKey is KIDMQCJUGGOVGB-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-22-15-10-11-17(23-5-2)16(12-15)20-13-14-8-7-9-18(19(14)21)24-6-3/h7-13,21H,4-6H2,1-3H3/b20-13+.
What are the key properties of 2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol?
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol has a molecular weight of 329.40 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol is sourced from PubChem (CID 135657460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).